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报告编号：2011-0181
引 证 检 索 报 告
委托内容： 王渊旭的论文收录及引用情况
委托单位： 河南大学
检索单位： 中国科学院文献情报中心
完成日期： 2011 年 3 月 28 日
中 国 科 学 院 国 家 科 学 图 书 馆
二○○七年制
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 1
一、检索要求
1、被检作者：王渊旭（Wang YX）
2、委托单位：河南大学
3、检索目的：特聘教授/长江学者
4、论文发表年限：2006--2011 年
5、提供待检索论文篇数：46 篇
二、检索范围
Science Citation Index Expanded (SCI-EXPANDED) 1900 - present 网络版
三、检索结果
1. 收录：
有 44 篇被 SCI 收录（记录见附件一）；
2. 引用：
有
SCI： 31 篇被引用 198 次，其中他人引用 155 次（记录见附件二）；
（注：引用文献中有作者“王渊旭”，视为自引，其它情况视为他引）
检索报告人： 于倩倩 检索单位： 中国科学院文献情报中心
审 核 人： 陈 芳 完成时间： 2011 年 3 月 28 日
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 2
附件：
一、SCI 收录情况
1． 收录论文题录
Record 1 of 44
Author(s): Zhao, WJ (Zhao, Wen Jie); Wang, YAX (Wang, Yuan Xu)
Title: Mechanical properties of superhard diamondlike BC5
Source: SOLID STATE COMMUNICATIONS, 151 (6): 478-481 MAR 2011
Addresses: [Zhao, Wen Jie; Wang, Yuan Xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci,
Kaifeng 475004, Peoples R China
Reprint Address: Wang, YAX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.12.032
ISI Document Delivery No.: 730NQ
Record 2 of 44
Author(s): Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan Xu); Lo, VC (Lo, V. C.)
Title: First-principles study of CrB4 as a high shear modulus compound
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 5 (1): 13-15 JAN 2011
Addresses: [Bin Xu, Hong; Wang, Yuan Xu] Henan Univ, Dept Phys, Inst Computat Mat Sci, Kaifeng
475004, Peoples R China; [Wang, Yuan Xu; Lo, V. C.] Hong Kong Polytech Univ, Dept Appl Phys, Hong
Kong, Hong Kong, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Dept Phys, Inst Computat Mat Sci, Kaifeng 475004, Peoples R
China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1862-6254
DOI: 10.1002/pssr.201004437
ISI Document Delivery No.: 715FW
Record 3 of 44
Author(s): Tu, YF (Tu, Yufei); Wang, YX (Wang, Yuanxu)
Title: First-principles study of the elastic properties of OsxW1-xB2 and RexW1-xB2 alloys
Source: SOLID STATE COMMUNICATIONS, 151 (3): 238-241 FEB 2011
Addresses: [Tu, Yufei; Wang, Yuanxu] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng
475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.11.023
ISI Document Delivery No.: 716KO
Record 4 of 44
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan Xu); Lo, VC (Lo, V. C.)
Title: Vacancy and Oxygen Substitution for Nitrogen-Induced Structural Stability of Ta2N3
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 115 (7): 3129-3135 FEB 24 2011
Addresses: [Du, Xiang Po; Wang, Yuan Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples
R China; [Du, Xiang Po; Wang, Yuan Xu] Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China; [Du,
Xiang Po; Wang, Yuan Xu; Lo, V. C.] Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong,
Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1932-7447
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 3
DOI: 10.1021/jp110919w
ISI Document Delivery No.: 721FD
Record 5 of 44
Author(s): Yan, YL (Yan, Yu Li); Wang, YX (Wang, Yuan Xu)
Title: Electronic structure and thermoelectric properties of In32-xGexO48 (x=0, 1, 2, and 3) at low
temperature
Source: APPLIED PHYSICS LETTERS, 97 (25): Art. No. 252106 DEC 20 2010
Addresses: [Yan, Yu Li; Wang, Yuan Xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng
475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0003-6951
Article Number: 252106
DOI: 10.1063/1.3529489
ISI Document Delivery No.: 700SJ
Record 6 of 44
Author(s): Yang, TX (Yang Tian-Xing); Cheng, QA (Cheng Qiang); Xu, HB (Xu Hong-Bin); Wang, YX
(Wang Yuan-Xu)
Title: First-principles study of elastic and electronic properties of several ternary transition-metal carbides
Source: ACTA PHYSICA SINICA, 59 (7): 4919-4924 JUL 2010
Addresses: [Yang Tian-Xing; Cheng Qiang; Xu Hong-Bin; Wang Yuan-Xu] Henan Univ, Sch Phys & Elect,
Inst Computat Mat Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1000-3290
ISI Document Delivery No.: 629BJ
Record 7 of 44
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan Xu); Lo, VC (Lo, V. C.)
Title: Investigation of tetragonal ReN2 and WN2 with high shear moduli from first-principles calculations
Source: PHYSICS LETTERS A, 374 (25): 2569-2574 MAY 31 2010
Addresses: [Du, Xiang Po; Wang, Yuan Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples
R China; [Du, Xiang Po; Wang, Yuan Xu] Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China;
[Wang, Yuan Xu; Lo, V. C.] Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong, Peoples R
China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2010.04.020
ISI Document Delivery No.: 610GE
Record 8 of 44
Author(s): Tian, FY (Tian, Fu-Yang); Wang, YX (Wang, Yuan-Xu)
Title: Adjusting Magnetic Moments of Sc-13 and Y-13 Clusters by Doping Different X Atom (X = Na, Mg, Al,
Si, P)
Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110 (8): 1573-1582 JUL 2010
Addresses: [Tian, Fu-Yang; Wang, Yuan-Xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci,
Kaifeng 475004, Peoples R China; [Tian, Fu-Yang] Univ Sci & Technol Zhengzhou, Dept Basic Educ,
Zhengzhou 450064, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0020-7608
DOI: 10.1002/qua.22278
ISI Document Delivery No.: 592BA
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 4
Record 9 of 44
Author(s): Ren, FZ (Ren, Fengzhu); Wang, YX (Wang, Yuanxu); Lo, VC (Lo, V. C.)
Title: Pressure induced structural phase transition of OsB2: First-principles calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 183 (4): 915-919 APR 2010
Addresses: [Ren, Fengzhu; Wang, Yuanxu] Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng
475004, Peoples R China; [Wang, Yuanxu; Lo, V. C.] Hong Kong Polytech Univ, Dept Appl Phys, Hong
Kong, Hong Kong, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2010.02.011
ISI Document Delivery No.: 583EA
Record 10 of 44
Author(s): Xu, HB (Xu, Hong Bin); Wang, YX (Wang, Yuan Xu); Lo, VC (Lo, V. C.)
Title: First-principles study of the structural, elastic, and electronic properties of C-20, C12B8, and C12N8
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (17): Art. No. 175505 MAY 5 2010
Addresses: [Xu, Hong Bin; Wang, Yuan Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples
R China; [Xu, Hong Bin; Wang, Yuan Xu] Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China;
[Wang, Yuan Xu; Lo, V. C.] Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong, Peoples R
China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0953-8984
Article Number: 175505
DOI: 10.1088/0953-8984/22/17/175505
ISI Document Delivery No.: 581TK
Record 11 of 44
Author(s): Tian, FY (Tian, Fu-Yang); Wang, YX (Wang, Yuan-Xu); Lo, VC (Lo, V. C.); Sheng, J (Sheng,
Jiang)
Title: An ab initio investigation of boron nanotube in ringlike cluster form
Source: APPLIED PHYSICS LETTERS, 96 (13): Art. No. 131901 MAR 29 2010
Addresses: [Wang, Yuan-Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China; [Tian,
Fu-Yang; Sheng, Jiang] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China;
[Wang, Yuan-Xu] Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China; [Wang, Yuan-Xu; Lo, V. C.]
Hong Kong Polytech Univ, Dept Appl Phys, Hong Kong, Hong Kong, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0003-6951
Article Number: 131901
DOI: 10.1063/1.3377790
ISI Document Delivery No.: 578EC
Record 12 of 44
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan Xu)
Title: Investigation of osmium carbides with various stoichiometries: First-principles calculations
Source: JOURNAL OF APPLIED PHYSICS, 107 (5): Art. No. 053506 MAR 1 2010
Addresses: [Du, Xiang Po; Wang, Yuan Xu] Henan Univ, Inst Computat Mat Sci, Dept Phys, Kaifeng
475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Dept Phys, Kaifeng 475004, Peoples R
China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0021-8979
Article Number: 053506
DOI: 10.1063/1.3309787
ISI Document Delivery No.: 570FK
Record 13 of 44
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 5
Author(s): Song, L (Song, Lu); Wang, YX (Wang, Yuan-Xu)
Title: First-principles study of W, WN, WN2, and WN3
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (1): 54-58 JAN 2010
Addresses: [Wang, Yuan-Xu] Henan Med Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China;
Henan Med Univ, Dept Phys, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Med Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0370-1972
DOI: 10.1002/pssb.200945310
ISI Document Delivery No.: 550BT
Record 14 of 44
Author(s): Tian, FY (Tian, Fu-Yang); Shen, J (Shen, Jiang); Wang, YX (Wang, Yuan-Xu)
Title: Density Functional Study of CO Adsorbed on Mn-N (N=2-8) Clusters
Source: JOURNAL OF PHYSICAL CHEMISTRY A, 114 (4): 1616-1620 FEB 4 2010
Addresses: [Wang, Yuan-Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China;
[Wang, Yuan-Xu] Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China; [Tian, Fu-Yang; Shen, Jiang]
Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1089-5639
DOI: 10.1021/jp910119w
ISI Document Delivery No.: 548GM
Record 15 of 44
Author(s): Zhao, WJ (Zhao Wen-Jie); Xu, HB (Xu Hong-Bin); Wang, YX (Wang Yuan-Xu)
Title: Prediction of a superhard material of ReN4 with a high shear modulus
Source: CHINESE PHYSICS B, 19 (1): Art. No. 016201 JAN 2010
Addresses: [Zhao Wen-Jie; Xu Hong-Bin; Wang Yuan-Xu] Henan Med Univ, Sch Phys & Elect, Inst
Computat Mat Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Med Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1674-1056
Article Number: 016201
ISI Document Delivery No.: 543NT
Record 16 of 44
Author(s): Zhao, WJ (Zhao, Wen Jie); Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan Xu)
Title: A hard semiconductor OsN4 with high elastic constant c(44)
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (7-8): 272-274 OCT 2009
Addresses: [Zhao, Wen Jie; Bin Xu, Hong; Wang, Yuan Xu] Henan Univ, Sch Phys & Elect, Inst Computat
Mat Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1862-6254
DOI: 10.1002/pssr.200903252
ISI Document Delivery No.: 516OO
Record 17 of 44
Author(s): Zhao, WJ (Zhao, Wen Jie); Wang, YX (Wang, Yuan Xu)
Title: Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle
calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 182 (10): 2880-2886 OCT 2009
Addresses: [Zhao, Wen Jie; Wang, Yuan Xu] Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect,
Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 6
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2009.07.054
ISI Document Delivery No.: 506BL
Record 18 of 44
Author(s): Zhao, GF (Zhao, Gao-feng); Sun, JM (Sun, Jian-min); Gu, YZ (Gu, Yu-zong); Wang, YX (Wang,
Yuan-xu)
Title: Density-functional study of structural, electronic, and magnetic properties of the EuSin (n=1-13)
clusters
Source: JOURNAL OF CHEMICAL PHYSICS, 131 (11): Art. No. 114312 SEP 21 2009
Addresses: [Zhao, Gao-feng; Sun, Jian-min; Wang, Yuan-xu] Henan Univ, Inst Computat Mat Sci, Sch
Phys & Elect, Kaifeng 475004, Peoples R China; [Gu, Yu-zong] Henan Univ, Inst Microsyst Phys, Kaifeng
475004, Peoples R China
Reprint Address: Zhao, GF, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: zgf@henu.edu.cn; wangyx@henu.edu.cn
ISSN: 0021-9606
Article Number: 114312
DOI: 10.1063/1.3232009
ISI Document Delivery No.: 497XG
Record 19 of 44
Author(s): Zhao, WJ (Zhao Wen-Jie); Wang, YX (Wang Yuan-Xu)
Title: Elastic stability and electronic structure of low energy tetragonal and monoclinic PdN2 and PtN2
Source: CHINESE PHYSICS B, 18 (9): 3934-3939 SEP 2009
Addresses: [Wang Yuan-Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China;
Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1674-1056
ISI Document Delivery No.: 491KX
Record 20 of 44
Author(s): Xu, HB (Xu Hong-Bin); Wang, YX (Wang Yuan-Xu)
Title: First-principles study of low-compressibility of transition-metal Tc and its nitrides TcN, TcN2, TcN3
and TcN4
Source: ACTA PHYSICA SINICA, 58 (8): 5645-5652 AUG 2009
Addresses: [Xu Hong-Bin; Wang Yuan-Xu] Henan Med Univ, Sch Phys & Elect, Inst Computat Mat Sci,
Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Med Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1000-3290
ISI Document Delivery No.: 486VN
Record 21 of 44
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan Xu)
Title: Ab initio study of Os0.5W0.5B2, Re0.5W0.5B2, and Os0.5Re0.5B2 with high shear modulus
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (4): 106-108 MAY 2009
Addresses: [Du, Xiang Po; Wang, Yuan Xu] Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng
475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1862-6254
DOI: 10.1002/pssr.200903022
ISI Document Delivery No.: 451LM
Record 22 of 44
Author(s): Zhao, WJ (Zhao, Wen-Jie); Wang, YX (Wang, Yuan-Xu)
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 7
Title: Geometries, stabilities, and magnetic properties of MnGen (n=2-16) clusters: Density-functional
theory investigations
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 901 (1-3): 18-23 MAY 15 2009
Addresses: [Wang, Yuan-Xu] Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China;
Henan Univ, Dept Phys, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2008.12.039
ISI Document Delivery No.: 437DX
Record 23 of 44
Author(s): Chen, ZJ (Chen, Z. J.); Zu, XT (Zu, X. T.); Wang, YX (Wang, Y. X.); Xue, SW (Xue, S. W.)
Title: Electronic and optical properties of pure and Ce3+-doped MgS single crystals: A first-principles
prediction
Source: JOURNAL OF APPLIED PHYSICS, 105 (6): Art. No. 063532 MAR 15 2009
Addresses: [Chen, Z. J.; Zu, X. T.] Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054,
Peoples R China; [Wang, Y. X.] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China; [Xue, S. W.] Zhanjiang Normal Coll, Dept Phys, Zhanjiang 524048, Peoples R China
Reprint Address: Chen, ZJ, Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R
China.
E-mail Address: zjchen@uestc.edu.cn
ISSN: 0021-8979
Article Number: 063532
DOI: 10.1063/1.3088876
ISI Document Delivery No.: 427IW
Record 24 of 44
Author(s): Ren, FZ (Ren Feng-Zhu); Wang, YX (Wang Yuan-Xu); Zhang, GB (Zhang Guang-Biao); Wei, SK
(Wei Shu-Ke); Luo, YH (Luo You-Hua)
Title: An ab initio study of niobium (n=2-11) clusters: structure, stability and magnetism
Source: CHINESE PHYSICS B, 18 (4): 1491-1497 APR 2009
Addresses: [Ren Feng-Zhu; Wang Yuan-Xu; Zhang Guang-Biao; Wei Shu-Ke; Luo You-Hua] Henan Univ,
Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004, Peoples R China
Reprint Address: Ren, FZ, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004, Peoples
R China.
E-mail Address: f.z.ren@henu.edu.cn
ISSN: 1674-1056
ISI Document Delivery No.: 420LI
Record 25 of 44
Author(s): Ni, GX (Ni Guang-Xin); Wang, YX (Wang Yuan-Xu)
Title: First-principles study of the (001) surface of cubic PbHfO3 and BaHfO3
Source: CHINESE PHYSICS B, 18 (3): 1194-1200 MAR 2009
Addresses: [Ni Guang-Xin; Wang Yuan-Xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng
475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1674-1056
ISI Document Delivery No.: 415CQ
Record 26 of 44
Author(s): Ren, FZ (Ren Feng-Zhu); Wang, YX (Wang Yuan-Xu); Zhang, GB (Zhang Guang-Biao)
Title: Pressure-Induced Phase Transition of Ruthenium Diboride
Source: CHINESE PHYSICS LETTERS, 26 (1): Art. No. 016102 JAN 2009
Addresses: [Ren Feng-Zhu; Wang Yuan-Xu; Zhang Guang-Biao] Henan Univ, Inst Computat Mat Sci, Sch
Phys & Elect, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 8
E-mail Address: wangyx@henu.edu.cn
ISSN: 0256-307X
Article Number: 016102
ISI Document Delivery No.: 400KI
Record 27 of 44
Author(s): Wang, YX (Wang Yuan-Xu)
Title: Giant Static Dielectric Constant of Strained PbTiO3
Source: CHINESE PHYSICS LETTERS, 26 (1): Art. No. 016801 JAN 2009
Addresses: Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0256-307X
Article Number: 016801
ISI Document Delivery No.: 400KI
Record 28 of 44
Author(s): Zhao, WJ (Zhao, Wen-Jie); Wang, YX (Wang, Yuan-Xu)
Title: Geometries, stabilities, and electronic properties of FeGen (n=9-16) clusters: Density-functional
theory investigations
Source: CHEMICAL PHYSICS, 352 (1-3): 291-296 SEP 3 2008
Addresses: [Wang, Yuan-Xu] Henan Univ, Inst Computat Mat Sci, Kaifeg 475004, Peoples R China; Henan
Univ, Dept Phys, Kaifeg 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Kaifeg 475004, Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0301-0104
DOI: 10.1016/j.chemphys.2008.07.006
ISI Document Delivery No.: 351YY
Record 29 of 44
Author(s): Yao, JG (Yao Jian-Gang); Wang, XW (Wang Xian-Wei); Wang, YX (Wang Yuan-Xu); Jing, Q
(Jing Qun); Lon, YH (Lon You-Hua)
Title: First-principles study of the NiMgn (n=1-12) clusters
Source: ACTA PHYSICA SINICA, 57 (7): 4166-4173 JUL 2008
Addresses: [Yao Jian-Gang; Wang Xian-Wei; Wang Yuan-Xu; Jing Qun; Lon You-Hua] Henan Univ, Sch
Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China; [Lon You-Hua] E China Univ Sci &
Technol, Sch Sci, Shanghai 200237, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1000-3290
ISI Document Delivery No.: 323IK
Record 30 of 44
Author(s): Yao, JG (Yao, Jian-Gang); Wang, XW (Wang, Xian-Wei); Wang, YX (Wang, Yuan-Xu)
Title: A theoretical study on structural and electronic properties of Zr-doped B clusters: ZrBn (n=1-12)
Source: CHEMICAL PHYSICS, 351 (1-3): 1-6 JUL 3 2008
Addresses: [Yao, Jian-Gang; Wang, Xian-Wei; Wang, Yuan-Xu] Henan Univ, Sch Phys & Elect, Inst
Computat Mat Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0301-0104
DOI: 10.1016/j.chemphys.2008.03.020
ISI Document Delivery No.: 329ZD
Record 31 of 44
Author(s): Tian, FY (Tian, Fu-Yang); Wang, YX (Wang, Yuan-Xu)
Title: The competition of double-, four-, and three-ring tubular B-3n (n=8-32) nanoclusters
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 9
Source: JOURNAL OF CHEMICAL PHYSICS, 129 (2): Art. No. 024903 JUL 14 2008
Addresses: [Tian, Fu-Yang; Wang, Yuan-Xu] Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect,
Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0021-9606
Article Number: 024903
DOI: 10.1063/1.2953689
ISI Document Delivery No.: 326AA
Record 32 of 44
Author(s): Wang, YX (Wang, Yuan Xu)
Title: Ultra-incompressible and hard technetium carbide and rhenium carbide: First-principles prediction
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2 (3): 126-128 JUN 2008
Addresses: Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1862-6254
DOI: 10.1002/pssr.200802051
ISI Document Delivery No.: 317TQ
Record 33 of 44
Author(s): Wang, YX (Wang, Yuan Xu)
Title: First-principles study of the (001) surface of cubic Ba0.5Sr0.5TiO3
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 245 (6): 1147-1151 JUN 2008
Addresses: [Wang, Yuan Xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China; [Wang, Yuan Xu] Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050044,
Japan
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0370-1972
DOI: 10.1002/pssb.200844054
ISI Document Delivery No.: 314CS
Record 34 of 44
Author(s): Ren, FZ (Ren Feng-Zhu); Wang, YX (Wang Yuan-Xu); Tian, FY (Tian Fu-Yang); Zhao, WJ (Zhao
Wen-Jie); Luo, YH (Luo You-Hua)
Title: Density-functional study of ZrnCO(n=1-13) cluster structers and their magnetism
Source: ACTA PHYSICA SINICA, 57 (4): 2165-2173 APR 2008
Addresses: [Ren Feng-Zhu; Wang Yuan-Xu; Tian Fu-Yang; Zhao Wen-Jie; Luo You-Hua] Henan Univ, Inst
Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004, Peoples R China
Reprint Address: Ren, FZ, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004, Peoples
R China.
E-mail Address: wangyx@herm.edu.cn
ISSN: 1000-3290
ISI Document Delivery No.: 289XM
Record 35 of 44
Author(s): Jing, Q (Jing, Qun); Tian, FY (Tian, Fu-yang); Wang, YX (Wang, Yuan-xu)
Title: No quenching of magnetic moment for the GenCo, (n=1-13) clusters: First-principles calculations
Source: JOURNAL OF CHEMICAL PHYSICS, 128 (12): Art. No. 124319 MAR 28 2008
Addresses: [Jing, Qun; Tian, Fu-yang; Wang, Yuan-xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat
Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0021-9606
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 10
Article Number: 124319
DOI: 10.1063/1.2898880
ISI Document Delivery No.: 281ZK
Record 36 of 44
Author(s): Tian, FY (Tian Fu-Yang); Wang, YX (Wang Yuan-Xu); Jing, Q (Jing Qun); Tian, K (Tian Kai); Luo,
YH (Luo You-Hua)
Title: Density functional theory study of structures and electronic properties of XMgn(X = B, Al, n=1-12)
clusters
Source: ACTA PHYSICA SINICA, 57 (3): 1648-1655 MAR 2008
Addresses: [Tian Fu-Yang; Wang Yuan-Xu; Jing Qun; Tian Kai; Luo You-Hua] Henan Univ, Inst Computat
Mat Sci, Sch Phys & Elect, Kaifeng 475004, Peoples R China; [Luo You-Hua] E China Univ Sci & Technol,
Sch Sci, Shanghai 200237, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Inst Computat Mat Sci, Sch Phys & Elect, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1000-3290
ISI Document Delivery No.: 275UJ
Record 37 of 44
Author(s): Tian, FY (Tian, Fu-Yang); Jing, Q (Jing, Qun); Wang, YX (Wang, Yuan-Xu)
Title: Structure, stability, and magnetism of ScnAl (n=1-8,12) clusters: Density-functional theory
investigations
Source: PHYSICAL REVIEW A, 77 (1): Art. No. 013202 JAN 2008
Addresses: [Tian, Fu-Yang; Jing, Qun; Wang, Yuan-Xu] Henan Univ, Sch Phys & Elect, Inst Computat Mat
Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 1050-2947
Article Number: 013202
DOI: 10.1103/PhysRevA.77.013202
ISI Document Delivery No.: 258IQ
Record 38 of 44
Author(s): Wang, YX (Wang, Yuan Xu); Arai, M (Arai, Masao)
Title: First-principles study of the (001) surface of cubic SrZrO3
Source: SURFACE SCIENCE, 601 (18): 4092-4096 SEP 15 2007
Conference Title: 24th European Conference on Surface Science (ECOSS-24)
Conference Date: SEP 04-08, 2006
Conference Location: Paris, FRANCE
Addresses: Henan Univ, Inst Comp Mat Sci, Sch Phys & Electron, Henan 475000, Peoples R China; Natl
Inst Mat Sci, Comp Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan
Reprint Address: Wang, YX, Henan Univ, Inst Comp Mat Sci, Sch Phys & Electron, Henan 475000,
Peoples R China.
E-mail Address: wang.yuanxu@nims.go.jp
ISSN: 0039-6028
DOI: 10.1016/j.susc.2007.04.067
ISI Document Delivery No.: 223ZK
Record 39 of 44
Author(s): Wang, YX (Wang, Yuan Xu)
Title: Elastic and electronic properties of TcB2 and superhard ReB2: First-principles calculations
Source: APPLIED PHYSICS LETTERS, 91 (10): Art. No. 101904 SEP 3 2007
Addresses: Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004, Peoples R China
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Elect, Inst Computat Mat Sci, Kaifeng 475004,
Peoples R China.
E-mail Address: wangyx@henu.edu.cn
ISSN: 0003-6951
Article Number: 101904
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 11
DOI: 10.1063/1.2780077
ISI Document Delivery No.: 208MH
Record 40 of 44
Author(s): Wang, YX (Wang, Yuan Xu); Arai, M (Arai, Masao); Sasaki, T (Sasaki, Taizo); Fan, CZ (Fan,
Chang Zeng)
Title: Ab initio study of monoclinic iridium nitride as a high bulk modulus compound
Source: PHYSICAL REVIEW B, 75 (10): Art. No. 104110 MAR 2007
Addresses: Natl Inst Mat Sci, Comp Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan; Henan Univ, Inst Comp
Mat Sci, Kaifeng 475000, Peoples R China; Henan Univ, Dept Phys, Kaifeng 475000, Peoples R China;
Harbin Inst Technol, Harbin 150001, Peoples R China
Reprint Address: Wang, YX, Natl Inst Mat Sci, Comp Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan.
E-mail Address: wang.yuanxu@nims.go.jp
ISSN: 1098-0121
Article Number: 104110
DOI: 10.1103/PhysRevB.75.104110
ISI Document Delivery No.: 151ZF
Record 41 of 44
Author(s): Wang, YX (Wang, Yuan Xu)
Title: Surface properties of the (001) surface of cubic PbZrO3 and PbTiO3
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 244 (2): 602-609 FEB 2007
Addresses: Henan Univ, Sch Phys & Informat Optoelect, Kaifeng 475001, Peoples R China; Natl Inst Mat
Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan
Reprint Address: Wang, YX, Henan Univ, Sch Phys & Informat Optoelect, Kaifeng 475001, Peoples R
China.
E-mail Address: wang.yuanxu@nims.go.jp
ISSN: 0370-1972
DOI: 10.1002/pssb.200642383
ISI Document Delivery No.: 136GE
Record 42 of 44
Author(s): Wang, YX (Wang, Yuan Xu); Arai, M (Arai, Masao); Sasaki, T (Sasaki, Taizo)
Title: Marcasite osmium nitride with high bulk modulus: First-principles calculations
Source: APPLIED PHYSICS LETTERS, 90 (6): Art. No. 061922 FEB 5 2007
Addresses: Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan; Henan Univ, Sch
Phys & Elect, Inst Computat Mat Sci, Kaifeng 475000, Peoples R China; Natl Inst Mat Sci, Computat Mat
Sci Ctr, Tsukuba, Ibaraki 3050044, Japan
Reprint Address: Wang, YX, Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan.
E-mail Address: wang.yuanxu@nims.go.jp
ISSN: 0003-6951
Article Number: 061922
DOI: 10.1063/1.2472540
ISI Document Delivery No.: 135OG
Record 43 of 44
Author(s): Wang, YX; Arai, M; Sasaki, T; Wang, CL
Title: First-principles study of the (001) surface of cubic BaZrO3 and BaTiO3
Source: APPLIED PHYSICS LETTERS, 88 (9): Art. No. 091909 FEB 27 2006
Addresses: Computat Mat Sci Ctr, Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan; Shandong Univ,
Sch Phys & Microelect, Jinan 250100, Peoples R China
Reprint Address: Wang, YX, Computat Mat Sci Ctr, Natl Inst Mat Sci, Tsukuba, Ibaraki 3050044, Japan.
E-mail Address: wang.yuanxu@nims.go.jp
ISSN: 0003-6951
Article Number: 091909
DOI: 10.1063/1.2178416
ISI Document Delivery No.: 018AY
Record 44 of 44
Author(s): Wang, YX; Arai, M; Sasaki, T; Wang, CL
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 12
Title: First-principles study of the (001) surface of cubic CaTiO3
Source: PHYSICAL REVIEW B, 73 (3): Art. No. 035411 JAN 2006
Addresses: Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan; Shandong Univ,
Sch Phys & Microelect, Jinan 250100, Peoples R China
Reprint Address: Wang, YX, Natl Inst Mat Sci, Computat Mat Sci Ctr, Tsukuba, Ibaraki 3050044, Japan.
ISSN: 1098-0121
Article Number: 035411
DOI: 10.1103/PhysRevB.73.035411
ISI Document Delivery No.: 007ZH
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 13
二、SCI引用情况
1. 引用次数统计表
序号 第一作者 出处 总引次数 他引次数
1. TIAN FY APPL PHYS LETT 2010 96 ARTN 131901 1 1
2. DU XP J APPL PHYS 2010 107 ARTN 053506 1 1
3. ZHAO WJ CHINESE PHYS B 2010 19 ARTN 016201 1 1
4. SONG L PHYS STATUS SOLIDI B 2010 247 54 2 2
5. ZHAO GF J CHEM PHYS 2009 131 ARTN 114312 3 1
6. ZHAO WJ PHYS STATUS SOLIDI-R 2009 3 272 1 1
7. DU XP PHYS STATUS SOLIDI-R 2009 3 106 4 0
8. ZHAO WJ J SOLID STATE CHEM 2009 182 2880 3 3
9. FENGZHU CHINESE PHYS LETT 2009 26 UNSP 016102 4 4
R
REN FZ CHINESE PHYS LETT 2009 26 ARTN 016102
10. WANG YX CHINESE PHYS LETT 2009 26 UNSP 1 1
016801-1-3
11. XU HB ACTA PHYS SIN-CH ED 2009 58 5645 2 1
12. NI GX CHINESE PHYS B 2009 18 1194 1 1
13. ZHAO WJ CHINESE PHYS B 2009 18 3934 2 0
14. REN FZ CHINESE PHYS B 2009 18 1491 3 3
15. ZHAO WJ J MOL STRUC-THEOCHEM 2009 901 18 1 1
16. CHEN ZJ J APPL PHYS 2009 105 ARTN 063532 1 1
17. ZHAO WJ CHEM PHYS 2008 352 291 8 7
ZHAO WJ CHEM PHYS 2008 252 291
18. TIAN FY J CHEM PHYS 2008 129 24903 ARTN 024903 5 4
TIAN FY J CHEM PHYS 2008 29 UNSP 024903
19. WANG YX PHYS STATUS SOLIDI-R 2008 2 126 13 9
20. YAO JG CHEM PHYS 2008 351 1 4 4
21. JING Q J CHEM PHYS 2008 128 ARTN 124319 5 3
JING Q J CHEM PHYS 2008 128 UNSP 124139
22. TIAN FY PHYS REV A 2008 77 ARTN 013202 7 5
23. YAO JG ACTA PHYS SINICA 2008 57 4170 1 1
24. REN FZ ACTA PHYS SIN-CH ED 2008 57 2165 2 2
25. WANG YX SURF SCI 2007 601 4092 8 8
26. WANG YX APPL PHYS LETT 2007 91 ARTN 101904 34 27
WANG YX APPL PHYS LETT 2007 91 UNSP 101904/1
WANG YX APPL PHYS LETT 2007 81 UNSP 101904
1-101904 4
27. WANG YX PHYS REV B 2007 75 ARTN 104110 25 18
28. WANG YX APPL PHYS LETT 2007 90 ARTN 061922 25 18
WANG YX APPL PHYS LETT 2007 90 UNSP 061992
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 14
29. WANG YX PHYS STATUS SOLIDI B 2007 244 602 2 2
30. WANG YX APPL PHYS LETT 2006 88 ARTN 091909 12 11
31. WANG YX PHYS REV B 2006 73 ARTN 035411 16 14
合计 198 155
（注：引用文献中有作者“王渊旭”，视为自引，其它情况视为他引）
2. 引用文献目录
DU XP PHYS LETT A 2010 374 2569
Record 1 of 1
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: Vacancy and Oxygen Substitution for Nitrogen-Induced Structural Stability of Ta2N3
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 115 (7): 3129-3135 FEB 24 2011
ISSN: 1932-7447
DOI: 10.1021/jp110919w
TIAN FY APPL PHYS LETT 2010 96 ARTN 131901
Record 1 of 1
Author(s): Manuel, P (Manuel, Paul)
Title: Computational Aspects of Carbon and Boron Nanotubes
Source: MOLECULES, 15 (12): 8709-8722 DEC 2010
ISSN: 1420-3049
DOI: 10.3390/molecules15128709
DU XP J APPL PHYS 2010 107 ARTN 053506
Record 1 of 1
Author(s): Kong, Y (Kong, Yi); Zhao, DD (Zhao, Dongdong); Zhou, LC (Zhou, Laicai); Guo, HB (Guo, Haibo);
Du, Y (Du, Yong)
Title: Energetic, mechanical, and vibrational stability of metastable OsC phase
Source: JOURNAL OF APPLIED PHYSICS, 108 (8): Art. No. 083523 OCT 15 2010
ISSN: 0021-8979
Article Number: 083523
DOI: 10.1063/1.3500325
ZHAO WJ CHINESE PHYS B 2010 19 ARTN 016201
Record 1 of 1
Author(s): Gou, HY (Gou Hui-Yang); Gao, FM (Gao Fa-Ming); Zhang, JW (Zhang Jing-Wu); Li, ZP (Li
Zhi-Ping)
Title: Structural transition, dielectric and bonding properties of BeCN2
Source: CHINESE PHYSICS B, 20 (1): Art. No. 016201 JAN 2011
ISSN: 1674-1056
Article Number: 016201
DOI: 10.1088/1674-1056/20/1/016201
SONG L PHYS STATUS SOLIDI B 2010 247 54
Record 1 of 2
Author(s): Suetin, DV (Suetin, D. V.); Shein, IR (Shein, I. R.); Ivanovskii, AL (Ivanovskii, A. L.)
Title: Tungsten carbides and nitrides and ternary systems based on them: the electronic structure, chemical
bonding and properties
Source: RUSSIAN CHEMICAL REVIEWS, 79 (7): 611-634 2010
ISSN: 0036-021X
DOI: 10.1070/RC2010v079n07ABEH004141
Record 2 of 2
Author(s): Lin, F (Lin, Fei); Wu, KC (Wu, Kechen); He, JG (He, Jiangang); Sa, RJ (Sa, Rongjian); Li, QH (Li,
Qiaohong); Wei, YQ (Wei, Yongqin)
Title: Mixed-metal effects on ultra-incompressible metal diborides: Density functional computations
Source: CHEMICAL PHYSICS LETTERS, 494 (1-3): 31-36 JUL 9 2010
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2010.05.067
ZHAO GF J CHEM PHYS 2009 131 ARTN 114312
Record 1 of 3
Author(s): Bai, YZ (Bai Yan-Zhi); Zhao, GF (Zhao Gao-Feng); Shen, XF (Shen Xue-Feng); Sun, JM (Sun
Jian-Min); Wang, YX (Wang Yuan-Xu)
Title: Geometries, Electronic and Magnetic Properties of TbSin (n=2-13) Clusters
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 15
Source: ACTA PHYSICO-CHIMICA SINICA, 27 (1): 39-46 JAN 2011
ISSN: 1000-6818
Record 2 of 3
Author(s): Liu, TG (Liu, Tai-gang); Zhao, GF (Zhao, Gao-feng); Wang, YX (Wang, Yuan-xu)
Title: Structural, electronic and magnetic properties of GdSin (n=1-17) clusters: A density functional study
Source: PHYSICS LETTERS A, 375 (7): 1120-1127 FEB 14 2011
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2011.01.023
Record 3 of 3
Author(s): Jing, Q (Jing Qun); Ge, GX (Ge Gui-Xian); Cao, HB (Cao Hai-Bin); Huang, XC (Huang Xu-Chu);
Liu, XY (Liu Xiao-Yong); Yan, HX (Yan Hong-Xia)
Title: Structural, Electronic and Magnetic Properties of the GenEu (n=1-13) Clusters
Source: ACTA PHYSICO-CHIMICA SINICA, 26 (9): 2510-2514 SEP 2010
ISSN: 1000-6818
ZHAO WJ PHYS STATUS SOLIDI-R 2009 3 272
Record 1 of 1
Author(s): Lin, F (Lin, Fei); Wu, KC (Wu, Kechen); He, JG (He, Jiangang); Sa, RJ (Sa, Rongjian); Li, QH (Li,
Qiaohong); Wei, YQ (Wei, Yongqin)
Title: Mixed-metal effects on ultra-incompressible metal diborides: Density functional computations
Source: CHEMICAL PHYSICS LETTERS, 494 (1-3): 31-36 JUL 9 2010
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2010.05.067
DU XP PHYS STATUS SOLIDI-R 2009 3 106
Record 1 of 4
Author(s): Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: First-principles study of CrB4 as a high shear modulus compound
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 5 (1): 13-15 JAN 2011
ISSN: 1862-6254
DOI: 10.1002/pssr.201004437
Record 2 of 4
Author(s): Tu, YF (Tu, Yufei); Wang, YX (Wang, Yuanxu)
Title: First-principles study of the elastic properties of OsxW1-xB2 and RexW1-xB2 alloys
Source: SOLID STATE COMMUNICATIONS, 151 (3): 238-241 FEB 2011
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.11.023
Record 3 of 4
Author(s): Yang, TX (Yang Tian-Xing); Cheng, QA (Cheng Qiang); Xu, HB (Xu Hong-Bin); Wang, YX
(Wang Yuan-Xu)
Title: First-principles study of elastic and electronic properties of several ternary transition-metal carbides
Source: ACTA PHYSICA SINICA, 59 (7): 4919-4924 JUL 2010
ISSN: 1000-3290
Record 4 of 4
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: Investigation of tetragonal ReN2 and WN2 with high shear moduli from first-principles calculations
Source: PHYSICS LETTERS A, 374 (25): 2569-2574 MAY 31 2010
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2010.04.020
ZHAO WJ J SOLID STATE CHEM 2009 182 2880
Record 1 of 3
Author(s): Winkler, B (Winkler, Bjorn); Juarez-Arellano, EA (Juarez-Arellano, Erick A.); Friedrich, A
(Friedrich, Alexandra); Bayarjargal, L (Bayarjargal, Lkhamsuren); Schroder, F (Schroder, Florian); Biehler, J
(Biehler, Jasmin); Milman, V (Milman, Victor); Clark, SM (Clark, Simon M.); Yan, JY (Yan, Jinyuan)
Title: In situ synchrotron X-ray diffraction study of the formation of TaB2 from the elements in a laser heated
diamond anvil cell
Source: SOLID STATE SCIENCES, 12 (12): 2059-2064 DEC 2010
ISSN: 1293-2558
Record 2 of 3
Author(s): Zhang, JD (Zhang, Ji-Dong); Cheng, XL (Cheng, Xin-Lu); Li, DH (Li, De-Hua)
Title: First-principles calculations of structural, elastic and electronic properties of TaB2 with AlB2 structure
under high pressure
Source: COMPUTATIONAL MATERIALS SCIENCE, 50 (2): 474-478 DEC 2010
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 16
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2010.09.007
Record 3 of 3
Author(s): Chen, W (Chen, W.); Jiang, JZ (Jiang, J. Z.)
Title: Elastic and electronic properties of low compressible 4d transition metal diborides: First principles
calculations
Source: SOLID STATE COMMUNICATIONS, 150 (43-44): 2093-2096 NOV 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.09.021
FENGZHU R CHINESE PHYS LETT 2009 26 UNSP 016102
REN FZ CHINESE PHYS LETT 2009 26 ARTN 016102
Record 1 of 4
Author(s): Ozisik, H (Ozisik, Haci); Deligoz, E (Deligoz, Engin); Colakoglu, K (Colakoglu, Kemal); Surucu, G
(Surucu, Gokhan)
Title: Mechanical and lattice dynamical properties of the Re2C compound
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 4 (12): 347-349 DEC 2010
ISSN: 1862-6254
DOI: 10.1002/pssr.201004397
Record 2 of 4
Author(s): Lin, F (Lin, Fei); Wu, KC (Wu, Kechen); He, JG (He, Jiangang); Sa, RJ (Sa, Rongjian); Li, QH (Li,
Qiaohong); Wei, YQ (Wei, Yongqin)
Title: Mixed-metal effects on ultra-incompressible metal diborides: Density functional computations
Source: CHEMICAL PHYSICS LETTERS, 494 (1-3): 31-36 JUL 9 2010
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2010.05.067
Record 3 of 4
Author(s): Kanoun, MB (Kanoun, Mohammed Benali); Shein, IR (Shein, Igor R.); Goumri-Said, S
(Goumri-Said, Souraya)
Title: Origin of incompressibility and hardness from electronic and mechanical properties of hard material
ruthenium diboride
Source: SOLID STATE COMMUNICATIONS, 150 (23-24): 1095-1098 JUN 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.03.014
Record 4 of 4
Author(s): Peng, F (Peng, Feng); Peng, WM (Peng, Weimin); Fu, HZ (Fu, Hongzhi); Yang, XD (Yang,
Xiangdong)
Title: Elasticity and thermodynamic properties of RuB2 under pressure
Source: PHYSICA B-CONDENSED MATTER, 404 (20): 3363-3367 NOV 1 2009
ISSN: 0921-4526
DOI: 10.1016/j.physb.2009.05.013
WANG YX CHINESE PHYS LETT 2009 26 UNSP 016801-1-3
Record 1 of 1
Author(s): Cheng, XR (Cheng Xue-Rui); Qi, ZM (Qi Ze-Ming); Zhang, GB (Zhang Guo-Bin); Li, TT (Li
Ting-Ting); He, B (He Bo); Yin, M (Yin Min)
Title: Structure and Dielectric Properties of HfO2 Thin Films
Source: JOURNAL OF INORGANIC MATERIALS, 25 (5): 468-472 MAY 2010
ISSN: 1000-324X
DOI: 10.3724/SP.J.1077.2010.00468
XU HB ACTA PHYS SIN-CH ED 2009 58 5645
Record 1 of 2
Author(s): Gou, HY (Gou Hui-Yang); Gao, FM (Gao Fa-Ming); Zhang, JW (Zhang Jing-Wu); Li, ZP (Li
Zhi-Ping)
Title: Structural transition, dielectric and bonding properties of BeCN2
Source: CHINESE PHYSICS B, 20 (1): Art. No. 016201 JAN 2011
ISSN: 1674-1056
Article Number: 016201
DOI: 10.1088/1674-1056/20/1/016201
Record 2 of 2
Author(s): Yang, TX (Yang Tian-Xing); Cheng, QA (Cheng Qiang); Xu, HB (Xu Hong-Bin); Wang, YX
(Wang Yuan-Xu)
Title: First-principles study of elastic and electronic properties of several ternary transition-metal carbides
Source: ACTA PHYSICA SINICA, 59 (7): 4919-4924 JUL 2010
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 17
ISSN: 1000-3290
NI GX CHINESE PHYS B 2009 18 1194
Record 1 of 1
Author(s): Liu, QJ (Liu, Qi-Jun); Liu, ZT (Liu, Zheng-Tang); Feng, LP (Feng, Li-Ping); Tian, H (Tian, Hao)
Title: Mechanical, electronic, chemical bonding and optical properties of cubic BaHfO3: First-principles
calculations
Source: PHYSICA B-CONDENSED MATTER, 405 (18): 4032-4039 SEP 15 2010
ISSN: 0921-4526
DOI: 10.1016/j.physb.2010.06.051
ZHAO WJ CHINESE PHYS B 2009 18 3934
Record 1 of 2
Author(s): Yang, TX (Yang Tian-Xing); Cheng, QA (Cheng Qiang); Xu, HB (Xu Hong-Bin); Wang, YX
(Wang Yuan-Xu)
Title: First-principles study of elastic and electronic properties of several ternary transition-metal carbides
Source: ACTA PHYSICA SINICA, 59 (7): 4919-4924 JUL 2010
ISSN: 1000-3290
Record 2 of 2
Author(s): Zhao, WJ (Zhao Wen-Jie); Xu, HB (Xu Hong-Bin); Wang, YX (Wang Yuan-Xu)
Title: Prediction of a superhard material of ReN4 with a high shear modulus
Source: CHINESE PHYSICS B, 19 (1): Art. No. 016201 JAN 2010
ISSN: 1674-1056
Article Number: 016201
REN FZ CHINESE PHYS B 2009 18 1491
Record 1 of 3
Author(s): E, XL (E Xiao-Liang); Duan, HM (Duan Hai-Ming)
Title: Study of the structure evolution and ground state energy of Co-n Cu55-n (n=0-55) bimetallic clusters
by using the Gupta potential combined with a genetic algorithm
Source: ACTA PHYSICA SINICA, 59 (8): 5672-5680 AUG 2010
ISSN: 1000-3290
Record 2 of 3
Author(s): Guo, P (Guo Ping); Zheng, JM (Zheng Ji-Ming); Zhao, P (Zhao Pei); Zheng, LL (Zheng Lin-Lin);
Ren, ZY (Ren Zhao-Yu)
Title: The relativistic density functional investigations on geometries, electronic and magnetic properties of
Ir-n (n=1-13) clusters
Source: CHINESE PHYSICS B, 19 (8): Art. No. 083601 AUG 2010
ISSN: 1674-1056
Article Number: 083601
Record 3 of 3
Author(s): Huang, HY (Huang, Huayu); Zhao, CD (Zhao, Chuande); Ji, YS (Ji, Yongsheng); Nie, R (Nie,
Rong); Zhou, P (Zhou, Pan); Zhang, HX (Zhang, Haixia)
Title: Preparation, characterization and application of p-tert-butyl-calix[4]arene-SBA-15 mesoporous silica
molecular sieves
Source: JOURNAL OF HAZARDOUS MATERIALS, 178 (1-3): 680-685 JUN 15 2010
ISSN: 0304-3894
DOI: 10.1016/j.jhazmat.2010.01.140
ZHAO WJ J MOL STRUC-THEOCHEM 2009 901 18
Record 1 of 1
Author(s): Li, XJ (Li, Xiao-Jun); Su, KH (Su, Ke-He)
Title: Structure, stability and electronic property of the gold-doped germanium clusters: AuGen (n=2-13)
Source: THEORETICAL CHEMISTRY ACCOUNTS, 124 (5-6): 345-354 NOV 2009
ISSN: 1432-881X
DOI: 10.1007/s00214-009-0618-9
CHEN ZJ J APPL PHYS 2009 105 ARTN 063532
Record 1 of 1
Author(s): Chen, ZJ (Chen Zhong-Jun); Tian, DB (Tian Dong-Bin)
Title: Electronic and optical properties of pure and Ce3+-doped CaS single crystals: a first-principles
prediction
Source: CHINESE PHYSICS B, 19 (11): Art. No. 117103 NOV 2010
ISSN: 1674-1056
Article Number: 117103
ZHAO WJ CHEM PHYS 2008 352 291
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 18
ZHAO WJ CHEM PHYS 2008 252 291
Record 1 of 8
Author(s): Jin, R (Jin Rui); Zhang, YH (Zhang Yonghong); Huang, SP (Huang Shiping); Wang, P (Wang
Peng); Tian, PH (Tian Pinghui)
Title: Stability, Infrared Spectra and Electronic Structures of (ZrO2)(n) (n=3-6) Clusters: DFT Study
Source: CHINESE JOURNAL OF CHEMISTRY, 29 (1): 13-20 JAN 2011
ISSN: 1001-604X
Record 2 of 8
Author(s): Zhao, RN (Zhao, Run-Ning); Han, JG (Han, Ju-Guang); Bai, JT (Bai, Jin-Tao); Sheng, LS (Sheng,
Liu-Si)
Title: The medium-sized charged YbSin +/- (n=7-13) clusters: A relativistic computational investigation
Source: CHEMICAL PHYSICS, 378 (1-3): 82-87 DEC 9 2010
ISSN: 0301-0104
DOI: 10.1016/j.chemphys.2010.10.007
Record 3 of 8
Author(s): Die, D (Die Dong); Kuang, XY (Kuang Xiao-Yu); Guo, JJ (Guo Jian-Jun); Zheng, BX (Zheng
Ben-Xia)
Title: Geometries, stabilities, and magnetic properties of Cr@Au-n (n = 1-8) clusters: Density functional
theory study
Source: PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 389 (22): 5216-5222 NOV 15
2010
ISSN: 0378-4371
DOI: 10.1016/j.physa.2010.07.019
Record 4 of 8
Author(s): Zhang, JH (Zhang, Jiaheng); Zhou, WF (Zhou, Wenfeng); Peng, B (Peng, Bing); Zhang, SX
(Zhang, Suxia); Gao, HX (Gao, Haixiang); Zhou, ZQ (Zhou, Zhiqiang)
Title: Density functional theory for N-O bond dissociation enthalpies of quinoxaline-1,4-dioxide derivatives:
Theoretical method assessment and prediction
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 957 (1-3): 36-40 OCT 15 2010
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2010.07.002
Record 5 of 8
Author(s): Pokhmurskii, V (Pokhmurskii, V.); Korniy, S (Korniy, S.); Kopylets, V (Kopylets, V.)
Title: The Theoretical Study of Interaction of Water Chloride Containing Environment Components with
CuAl2 Intermetallic Surface
Source: JOURNAL OF CLUSTER SCIENCE, 21 (1): 35-43 MAR 2010
ISSN: 1040-7278
DOI: 10.1007/s10876-010-0279-9
Record 6 of 8
Author(s): Li, XJ (Li, Xiao-Jun); Su, KH (Su, Ke-He)
Title: Structure, stability and electronic property of the gold-doped germanium clusters: AuGen (n=2-13)
Source: THEORETICAL CHEMISTRY ACCOUNTS, 124 (5-6): 345-354 NOV 2009
ISSN: 1432-881X
DOI: 10.1007/s00214-009-0618-9
Record 7 of 8
Author(s): Sosa-Hernandez, EM (Sosa-Hernandez, E. M.); Alvarado-Leyva, PG (Alvarado-Leyva, P. G.)
Title: Magnetic properties of stable structures of small binary FenGem (n plus m <= 4) clusters
Source: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 42 (1): 17-21 NOV 2009
ISSN: 1386-9477
DOI: 10.1016/j.physe.2009.07.013
Record 8 of 8
Author(s): Zhao, WJ (Zhao, Wen-Jie); Wang, YX (Wang, Yuan-Xu)
Title: Geometries, stabilities, and magnetic properties of MnGen (n=2-16) clusters: Density-functional
theory investigations
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 901 (1-3): 18-23 MAY 15 2009
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2008.12.039
TIAN FY J CHEM PHYS 2008 129 24903 ARTN 024903
TIAN FY J CHEM PHYS 2008 29 UNSP 024903
Record 1 of 5
Author(s): Zhao, JJ (Zhao, Jijun); Wang, L (Wang, Lu); Li, FY (Li, Fengyu); Chen, ZF (Chen, Zhongfang)
Title: B-80 and Other Medium-Sized Boron Clusters: Core Shell Structures, Not Hollow Cages
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 19
Source: JOURNAL OF PHYSICAL CHEMISTRY A, 114 (37): 9969-9972 SEP 23 2010
ISSN: 1089-5639
DOI: 10.1021/jp1018873
Record 2 of 5
Author(s): Tang, H (Tang, Hui); Ismail-Beigi, S (Ismail-Beigi, Sohrab)
Title: First-principles study of boron sheets and nanotubes
Source: PHYSICAL REVIEW B, 82 (11): Art. No. 115412 SEP 8 2010
ISSN: 1098-0121
Article Number: 115412
DOI: 10.1103/PhysRevB.82.115412
Record 3 of 5
Author(s): Tian, FY (Tian, Fu-Yang); Wang, YX (Wang, Yuan-Xu); Lo, VC (Lo, V. C.); Sheng, J (Sheng,
Jiang)
Title: An ab initio investigation of boron nanotube in ringlike cluster form
Source: APPLIED PHYSICS LETTERS, 96 (13): Art. No. 131901 MAR 29 2010
ISSN: 0003-6951
Article Number: 131901
DOI: 10.1063/1.3377790
Record 4 of 5
Author(s): Ozdogan, C (Ozdogan, C.); Mukhopadhyay, S (Mukhopadhyay, S.); Hayami, W (Hayami, W.);
Guvenc, ZB (Guvenc, Z. B.); Pandey, R (Pandey, R.); Boustani, I (Boustani, I.)
Title: The Unusually Stable B-100 Fullerene, Structural Transitions in Boron Nanostructures, and a
Comparative Study of alpha- and gamma-Boron and Sheets
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 114 (10): 4362-4375 MAR 18 2010
ISSN: 1932-7447
DOI: 10.1021/jp911641u
Record 5 of 5
Author(s): Shang, B (Shang, Bo); Yuan, LF (Yuan, Lan-Feng); Zeng, XC (Zeng, Xiao Cheng); Yang, JL
(Yang, Jinlong)
Title: Ab Initio Prediction of Amorphous B-84
Source: JOURNAL OF PHYSICAL CHEMISTRY A, 114 (6): 2245-2249 FEB 18 2010
ISSN: 1089-5639
DOI: 10.1021/jp907976y
WANG YX PHYS STATUS SOLIDI-R 2008 2 126
Record 1 of 13
Author(s): Li, JF (Li, Jianfu); Wang, XL (Wang, Xiaoli); Liu, K (Liu, Kai); Sun, YY (Sun, Yuanyuan); Chen, L
(Chen, Li); Yang, HG (Yang, Haigui)
Title: Electronic structures, phase stability and hardness of technetium boride: First-principles calculation
Source: PHYSICA B-CONDENSED MATTER, 405 (22): 4659-4663 NOV 15 2010
ISSN: 0921-4526
DOI: 10.1016/j.physb.2010.08.056
Record 2 of 13
Author(s): Zhao, EJ (Zhao, Erjun); Wang, JP (Wang, Jinping); Wu, ZJ (Wu, Zhijian)
Title: Structural Stability and Phase Transition in OsC and RuC
Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, 31 (16): 2883-2888 DEC 2010
ISSN: 0192-8651
DOI: 10.1002/jcc.21583
Record 3 of 13
Author(s): Yang, J (Yang, Jun); Gao, FM (Gao, Faming)
Title: Hardness calculations of 5d transition metal monocarbides with tungsten carbide structure
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (9): 2161-2167 SEP 2010
ISSN: 0370-1972
DOI: 10.1002/pssb.201046127
Record 4 of 13
Author(s): Zhao, ZS (Zhao, Zhisheng); Xu, LF (Xu, Lifang); Wang, M (Wang, Meng); Cui, L (Cui, Lin); Wang,
LM (Wang, Li-Min); He, JL (He, Julong); Liu, ZY (Liu, Zhongyuan); Tian, YJ (Tian, Yongjun)
Title: Prediction of a conducting hard ductile cubic IrC
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 4 (8-9): 230-232 SEP 2010
ISSN: 1862-6254
DOI: 10.1002/pssr.201004282
Record 5 of 13
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 20
Author(s): Yang, TX (Yang Tian-Xing); Cheng, QA (Cheng Qiang); Xu, HB (Xu Hong-Bin); Wang, YX
(Wang Yuan-Xu)
Title: First-principles study of elastic and electronic properties of several ternary transition-metal carbides
Source: ACTA PHYSICA SINICA, 59 (7): 4919-4924 JUL 2010
ISSN: 1000-3290
Record 6 of 13
Author(s): Bannikov, VV (Bannikov, V. V.); Shein, IR (Shein, I. R.); Ivanovskii, AL (Ivanovskii, A. L.)
Title: Trends in stability, elastic and electronic properties of cubic Rh, Ir Pd and Pt carbides depending on
carbon content: MC versus M4C from first-principles calculations
Source: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 71 (5): 803-809 MAY 2010
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2010.02.005
Record 7 of 13
Author(s): Zhao, WJ (Zhao Wen-Jie); Xu, HB (Xu Hong-Bin); Wang, YX (Wang Yuan-Xu)
Title: Prediction of a superhard material of ReN4 with a high shear modulus
Source: CHINESE PHYSICS B, 19 (1): Art. No. 016201 JAN 2010
ISSN: 1674-1056
Article Number: 016201
Record 8 of 13
Author(s): Zhang, XY (Zhang, Xinyu); Chen, ZW (Chen, Zhouwen); Fan, CZ (Fan, Changzeng); Ma, MZ
(Ma, Mingzhen); Jing, Q (Jing, Qin); Liu, RP (Liu, Riping)
Title: Supreme shear modulus predicted in the monocarbide system: the RexW1-xC alloy
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (9): 299-301 DEC 2009
ISSN: 1862-6254
DOI: 10.1002/pssr.200903283
Record 9 of 13
Author(s): Zhao, WJ (Zhao, Wen Jie); Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan xu)
Title: A hard semiconductor OsN4 with high elastic constant c(44)
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (7-8): 272-274 OCT 2009
ISSN: 1862-6254
DOI: 10.1002/pssr.200903252
Record 10 of 13
Author(s): Zhao, WJ (Zhao, Wen Jie); Wang, YX (Wang, Yuan xu)
Title: Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle
calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 182 (10): 2880-2886 OCT 2009
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2009.07.054
Record 11 of 13
Author(s): Ivanovskii, AL (Ivanovskii, A. L.)
Title: Platinum group metal nitrides and carbides: synthesis, properties and simulation
Source: RUSSIAN CHEMICAL REVIEWS, 78 (4): 303-318 2009
ISSN: 0036-021X
DOI: 10.1070/RC2009v078n04ABEH004036
Record 12 of 13
Author(s): Zhao, EJ (Zhao, Erjun); Wang, JP (Wang, Jinping); Meng, J (Meng, Jian); Wu, ZJ (Wu, Zhijian)
Title: Ab initio study on the electronic and mechanical properties of ReB and ReC
Source: JOURNAL OF SOLID STATE CHEMISTRY, 182 (4): 960-965 APR 2009
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2009.01.034
Record 13 of 13
Author(s): Liang, YC (Liang, Yongcheng); Li, C (Li, Chun); Guo, WL (Guo, Wanlin); Zhang, WQ (Zhang,
Wenqing)
Title: First-principles investigation of technetium carbides and nitrides
Source: PHYSICAL REVIEW B, 79 (2): Art. No. 024111 JAN 2009
ISSN: 1098-0121
Article Number: 024111
DOI: 10.1103/PhysRevB.79.024111
YAO JG CHEM PHYS 2008 351 1
Record 1 of 4
Author(s): Boyukata, M (Boyukata, Mustafa); Guvenc, ZB (Guvenc, Ziya B.)
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 21
Title: Density functional study of AlBn clusters for n=1-14
Source: JOURNAL OF ALLOYS AND COMPOUNDS, 509 (11): 4214-4234 MAR 17 2011
ISSN: 0925-8388
DOI: 10.1016/j.jallcom.2011.01.053
Record 2 of 4
Author(s): Pu, ZF (Pu, Zhifeng); Ito, K (Ito, Keigo); Schleyer, PV (Schleyer, Paul v. R.); Li, QS (Li, Qian-Shu)
Title: Planar Hepta-, Octa-, Nona-, and Decacoordinate First Row d-Block Metals Enclosed by Boron Rings
Source: INORGANIC CHEMISTRY, 48 (22): 10679-10686 NOV 16 2009
ISSN: 0020-1669
DOI: 10.1021/ic901377h
Record 3 of 4
Author(s): Zhao, GF (Zhao, Gao-feng); Sheng, XF (Sheng, Xue-feng); Zhi, LL (Zhi, Li-li); Sun, JM (Sun,
Jian-min); Gu, YZ (Gu, Yu-zong)
Title: Density-functional study of structural, electronic, and magnetic properties of the ZrnCr (n=2-14)
clusters
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 908 (1-3): 40-46 AUG 30 2009
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2009.04.041
Record 4 of 4
Author(s): Lto, K (Lto, Keigo); Pu, Z (Pu, Zhifeng); Li, QS (Li, Qian-Shu); Schleyer, PVR (Schleyer, Paul
Von Rague)
Title: Cyclic Boron Clusters Enclosing Planar Hypercoordinate Cobalt, Iron, and Nickel
Source: INORGANIC CHEMISTRY, 47 (23): 10906-10910 DEC 1 2008
ISSN: 0020-1669
DOI: 10.1021/ic800993b
JING Q J CHEM PHYS 2008 128 ARTN 124319
JING Q J CHEM PHYS 2008 128 UNSP 124139
Record 1 of 5
Author(s): Jing, Q (Jing Qun); Ge, GX (Ge Gui-Xian); Cao, HB (Cao Hai-Bin); Huang, XC (Huang Xu-Chu);
Liu, XY (Liu Xiao-Yong); Yan, HX (Yan Hong-Xia)
Title: Structural, Electronic and Magnetic Properties of the GenEu (n=1-13) Clusters
Source: ACTA PHYSICO-CHIMICA SINICA, 26 (9): 2510-2514 SEP 2010
ISSN: 1000-6818
Record 2 of 5
Author(s): Tian, FY (Tian, Fu-Yang); Wang, YX (Wang, Yuan-Xu)
Title: Adjusting Magnetic Moments of Sc-13 and Y-13 Clusters by Doping Different X Atom (X = Na, Mg, Al,
Si, P)
Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110 (8): 1573-1582 JUL 2010
ISSN: 0020-7608
DOI: 10.1002/qua.22278
Record 3 of 5
Author(s): Li, XJ (Li, Xiao-Jun); Su, KH (Su, Ke-He)
Title: Structure, stability and electronic property of the gold-doped germanium clusters: AuGen (n=2-13)
Source: THEORETICAL CHEMISTRY ACCOUNTS, 124 (5-6): 345-354 NOV 2009
ISSN: 1432-881X
DOI: 10.1007/s00214-009-0618-9
Record 4 of 5
Author(s): Zhao, WJ (Zhao, Wen-Jie); Wang, YX (Wang, Yuan-Xu)
Title: Geometries, stabilities, and magnetic properties of MnGen (n=2-16) clusters: Density-functional
theory investigations
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 901 (1-3): 18-23 MAY 15 2009
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2008.12.039
Record 5 of 5
Author(s): Han, JG (Han, Ju-Guang); Hagelberg, F (Hagelberg, Frank)
Title: Recent Progress in the Computational Study of Silicon and Germanium Clusters with Transition Metal
Impurities
Source: JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 6 (2): 257-269 Sp. Iss.
SI FEB 2009
ISSN: 1546-1955
DOI: 10.1166/jctn.2009.1035
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 22
TIAN FY PHYS REV A 2008 77 ARTN 013202
Record 1 of 7
Author(s): Zhang, DL (Zhang, Daoli); Chen, LY (Chen, Liangyan); Zhang, JB (Zhang, Jianbing); Miao, XS
(Miao, Xiangshui)
Title: Theoretical Investigation of Structural and Magnetic Properties of ZnnSen (n=6-13) Nanoclusters
Doped with Manganese Atoms
Source: JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 94 (3): 759-764 MAR 2011
ISSN: 0002-7820
DOI: 10.1111/j.1551-2916.2010.04125.x
Record 2 of 7
Author(s): Yang, J (Yang, Jack); Zhang, YB (Zhang, Y. B.); Li, SA (Li, Sean)
Title: Structure, Stability and Magnetism of Cobalt Doped (ZnO)(n) Clusters
Source: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 11 (3): 2564-2569 MAR 2011
Conference Title: International Conference on Materials for Advanced Technologies (ICMAT 2009)
Symposium E - Nanostructured Magnetic Materials and Their Applications
Conference Date: JUN 28-JUL 03, 2009
Conference Location: Singapore, SINGAPORE
ISSN: 1533-4880
DOI: 10.1166/jnn.2011.2705
Record 3 of 7
Author(s): Tian, FY (Tian, Fu-Yang); Wang, YX (Wang, Yuan-Xu)
Title: Adjusting Magnetic Moments of Sc-13 and Y-13 Clusters by Doping Different X Atom (X = Na, Mg, Al,
Si, P)
Source: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 110 (8): 1573-1582 JUL 2010
ISSN: 0020-7608
DOI: 10.1002/qua.22278
Record 4 of 7
Author(s): Du, JG (Du, Jiguang); Sun, XY (Sun, Xiyuan); Jiang, G (Jiang, Gang)
Title: Structures, chemical bonding, magnetisms of small Al-doped zirconium clusters
Source: PHYSICS LETTERS A, 374 (6): 854-860 JAN 25 2010
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2009.12.009
Record 5 of 7
Author(s): Tian, FY (Tian, Fu-Yang); Shen, J (Shen, Jiang); Wang, YX (Wang, Yuan-Xu)
Title: Density Functional Study of CO Adsorbed on Mn-N (N=2-8) Clusters
Source: JOURNAL OF PHYSICAL CHEMISTRY A, 114 (4): 1616-1620 FEB 4 2010
ISSN: 1089-5639
DOI: 10.1021/jp910119w
Record 6 of 7
Author(s): Guo, L (Guo, Ling)
Title: Computational investigation of GanAl (n=1-15) clusters by the density-functional theory
Source: COMPUTATIONAL MATERIALS SCIENCE, 45 (4): 951-958 JUN 2009
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2009.01.001
Record 7 of 7
Author(s): Wang, M (Wang, Mei); Qiu, GL (Qiu, Guoli); Huang, XW (Huang, Xiaowei); Du, ZL (Du, Zuliang);
Li, YC (Li, Yuncai)
Title: Study of the size-dependent properties of ScnAl (n=1-14) clusters by density-functional theory
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 21 (4): Art. No. 046004 JAN 28 2009
ISSN: 0953-8984
Article Number: 046004
DOI: 10.1088/0953-8984/21/4/046004
YAO JG ACTA PHYS SINICA 2008 57 4170
Record 1 of 1
Author(s): Xu, BF (Xu Ben-Fu); Yang, CL (Yang Chuan-Lu); Tong, XF (Tong Xiao-Fei); Wang, MS (Wang
Mei-Shan); Ma, XG (Ma Xiao-Guang); Wang, DH (Wang De-Hua)
Title: Geometry, electronic properties and magnetism of Fe-n O-m(+) (n plus m=4) clusters
Source: ACTA PHYSICA SINICA, 59 (11): 7845-7849 NOV 2010
ISSN: 1000-3290
REN FZ ACTA PHYS SIN-CH ED 2008 57 2165
Record 1 of 2
Author(s): Zheng, XJ (Zheng Xiao-Jun); Zhang, J (Zhang Jun); Huang, ZB (Huang Zhong-Bing)
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 23
Title: Optimized structure and thermodynamic properties of atomic clusters in the framework of the
extended Hubbard model
Source: ACTA PHYSICA SINICA, 59 (6): 3897-3904 JUN 2010
ISSN: 1000-3290
Record 2 of 2
Author(s): Qi, KT (Qi Kai-Tian); Yang, CL (Yang Chuan-Lu); Li, B (Li Bing); Zhang, Y (Zhang Yan); Sheng,
Y (Sheng Yong)
Title: Density functional theory study on TinLa(n=1-7) clusters
Source: ACTA PHYSICA SINICA, 58 (10): 6956-6961 OCT 2009
ISSN: 1000-3290
WANG YX SURF SCI 2007 601 4092
Record 1 of 8
Author(s): Iles, N (Iles, N.); Finocchi, F (Finocchi, F.); Khodja, KD (Khodja, K. Driss)
Title: A systematic study of ideal and double layer reconstructions of ABO(3)(001) surfaces (A = Sr, Ba; B =
Ti, Zr) from first principles
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (30): Art. No. 305001 AUG 4 2010
ISSN: 0953-8984
Article Number: 305001
DOI: 10.1088/0953-8984/22/30/305001
Record 2 of 8
Author(s): Liu, QJ (Liu, Qi-Jun); Liu, ZT (Liu, Zheng-Tang); Liu, YF (Liu, Yun-Fang); Feng, LP (Feng,
Li-Ping); Tian, H (Tian, Hao); Ding, JG (Ding, Jian-Gang)
Title: First-principles study of structural, electronic and optical properties of orthorhombic SrZrO3
Source: SOLID STATE COMMUNICATIONS, 150 (41-42): 2032-2035 NOV 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.08.011
Record 3 of 8
Author(s): Eglitis, RI (Eglitis, R. I.); Rohlfing, M (Rohlfing, M.)
Title: First-principles calculations of the atomic and electronic structure of SrZrO3 and PbZrO3 (001) and
(011) surfaces
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (41): Art. No. 415901 OCT 20 2010
ISSN: 0953-8984
Article Number: 415901
DOI: 10.1088/0953-8984/22/41/415901
Record 4 of 8
Author(s): Iles, N (Iles, N.); Finocchi, F (Finocchi, F.); Khodja, KD (Khodja, K. Driss)
Title: A systematic study of ideal and double layer reconstructions of ABO(3)(001) surfaces (A = Sr, Ba; B =
Ti, Zr) from first principles
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (30): Art. No. 305001 AUG 4 2010
ISSN: 0953-8984
Article Number: 305001
DOI: 10.1088/0953-8984/22/30/305001
Record 5 of 8
Author(s): Evarestov, RA (Evarestov, R. A.); Bandura, AV (Bandura, A. V.); Blokhin, EN (Blokhin, E. N.)
Title: Hybrid HF-DFT Modelling of Water Adsorption on (001) Surface of Orthorhombic and Cubic SrHfO3
Source: INTEGRATED FERROELECTRICS, 108: 37-45 2009
Conference Title: Annual International Conference on Functional Materials and Nanotechnologies
Conference Date: MAR 31-APR 03, 2009
Conference Location: Riga, LATVIA
Conference Host: Univ Latvia, Inst Solid State Phys
ISSN: 1058-4587
DOI: 10.1080/10584580903324048
Record 6 of 8
Author(s): Daheron, L (Daheron, L.); Martinez, H (Martinez, H.); Dedryvere, R (Dedryvere, R.); Baraille, I
(Baraille, I.); Menetrier, M (Menetrier, M.); Denage, C (Denage, C.); Delmas, C (Delmas, C.); Gonbeau, D
(Gonbeau, D.)
Title: Surface Properties of LiCoO2 Investigated by XPS Analyses and Theoretical Calculations
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 113 (14): 5843-5852 APR 9 2009
ISSN: 1932-7447
DOI: 10.1021/jp803266w
Record 7 of 8
Author(s): Evarestov, RA (Evarestov, R. A.); Bandura, AV (Bandura, A. V.); Blokhin, EN (Blokhin, E. N.)
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 24
Title: Surface relaxation and tilting in SrHfO3 orthorhombic perovskite: Hybrid HF-DFT LCAO calculations
Source: SURFACE SCIENCE, 602 (24): 3674-3682 DEC 15 2008
ISSN: 0039-6028
DOI: 10.1016/j.susc.2008.10.002
Record 8 of 8
Author(s): Feng, ZB (Feng, Zhenbao); Hu, HQ (Hu, Haiquan); Cui, SX (Cui, Shouxin); Bai, CL (Bai,
Chenglin)
Title: First-principles study of optical properties of SrZrO3 in cubic phase
Source: SOLID STATE COMMUNICATIONS, 148 (9-10): 472-475 DEC 2008
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2008.08.030
WANG YX APPL PHYS LETT 2007 91 ARTN 101904
WANG YX APPL PHYS LETT 2007 91 UNSP 101904/1
WANG YX APPL PHYS LETT 2007 81 UNSP 101904 1-101904 4
Record 1 of 34
Author(s): Yang, J (Yang, Jun); Gao, FM (Gao, Faming)
Title: Hardness calculations of 5d transition metal monocarbides with tungsten carbide structure
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (9): 2161-2167 SEP 2010
ISSN: 0370-1972
DOI: 10.1002/pssb.201046127
Record 2 of 34
Author(s): Veprek, S (Veprek, Stan); Prilliman, SG (Prilliman, Stephen G.); Clark, SM (Clark, Simon M.)
Title: Elastic moduli of nc-TiN/a-Si3N4 nanocomposites: Compressible, yet superhard
Source: JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 71 (8): 1175-1178 Sp. Iss. SI AUG 2010
Conference Title: 5th International Conference on Study of Matter at Extreme Conditions
Conference Date: MAR 28-APR 02, 2009
Conference Location: Miami, FL
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2010.03.029
Record 3 of 34
Author(s): Lin, F (Lin, Fei); Wu, KC (Wu, Kechen); He, JG (He, Jiangang); Sa, RJ (Sa, Rongjian); Li, QH (Li,
Qiaohong); Wei, YQ (Wei, Yongqin)
Title: Mixed-metal effects on ultra-incompressible metal diborides: Density functional computations
Source: CHEMICAL PHYSICS LETTERS, 494 (1-3): 31-36 JUL 9 2010
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2010.05.067
Record 4 of 34
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: Investigation of tetragonal ReN2 and WN2 with high shear moduli from first-principles calculations
Source: PHYSICS LETTERS A, 374 (25): 2569-2574 MAY 31 2010
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2010.04.020
Record 5 of 34
Author(s): Li, YL (Li, Yanling); Zeng, Z (Zeng, Zhi); Lin, HQ (Lin, Haiqing)
Title: Structural, elastic, electronic and dynamical properties of OsB and ReB: Density functional
calculations
Source: CHEMICAL PHYSICS LETTERS, 492 (4-6): 246-250 JUN 7 2010
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2010.04.074
Record 6 of 34
Author(s): Zhao, EJ (Zhao, Erjun); Wang, JP (Wang, Jinping); Meng, J (Meng, Jian); Wu, ZJ (Wu, Zhijian)
Title: Phase Stability and Mechanical Properties of Rhenium Borides by First-Principles Calculations
Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, 31 (9): 1904-1910 JUL 15 2010
ISSN: 0192-8651
DOI: 10.1002/jcc.21477
Record 7 of 34
Author(s): Suzuki, Y (Suzuki, Yoko); Levine, JB (Levine, Jonathan B.); Migliori, A (Migliori, Albert); Garrett,
JD (Garrett, Jim D.); Kaner, RB (Kaner, Richard B.); Fanelli, VR (Fanelli, Victor R.); Betts, JB (Betts,
Jonathan B.)
Title: Rhenium diboride's monocrystal elastic constants, 308 to 5 K
Source: JOURNAL OF THE ACOUSTICAL SOCIETY OF AMERICA, 127 (5): 2797-2801 MAY 2010
ISSN: 0001-4966
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 25
DOI: 10.1121/1.3372629
Record 8 of 34
Author(s): Ren, FZ (Ren, Fengzhu); Wang, YX (Wang, Yuanxu); Lo, VC (Lo, V. C.)
Title: Pressure induced structural phase transition of OsB2: First-principles calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 183 (4): 915-919 APR 2010
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2010.02.011
Record 9 of 34
Author(s): Xu, HB (Xu, Hong Bin); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: First-principles study of the structural, elastic, and electronic properties of C-20, C12B8, and C12N8
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (17): Art. No. 175505 MAY 5 2010
ISSN: 0953-8984
Article Number: 175505
DOI: 10.1088/0953-8984/22/17/175505
Record 10 of 34
Author(s): Levine, JB (Levine, J. B.); Betts, JB (Betts, J. B.); Garrett, JD (Garrett, J. D.); Guo, SQ (Guo, S.
Q.); Eng, JT (Eng, J. T.); Migliori, A (Migliori, A.); Kaner, RB (Kaner, R. B.)
Title: Full elastic tensor of a crystal of the superhard compound ReB2
Source: ACTA MATERIALIA, 58 (5): 1530-1535 MAR 2010
ISSN: 1359-6454
DOI: 10.1016/j.actamat.2009.10.060
Record 11 of 34
Author(s): Tan, M (Tan, M.); Li, DJ (Li, D. J.); Liu, GQ (Liu, G. Q.); Dong, L (Dong, L.); Deng, XY (Deng, X.
Y.); Liu, H (Liu, H.); Sun, X (Sun, X.)
Title: STRUCTURES AND MECHANICAL PROPERTIES OF MODULATED ZrB2/W AND ZrB2/WNx
NANOMULTILAYERS
Source: INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 24 (1-2): 34-42 JAN 20 2010
Conference Title: Symposium on Mechanical Behavior of Micro- and Nano-Scale System held at the ICMAT
2009
Conference Date: JUN 28-JUL 03, 2009
Conference Location: Singapore, SINGAPORE
ISSN: 0217-9792
DOI: 10.1142/S0217979210063958
Record 12 of 34
Author(s): Zhao, WJ (Zhao Wen-Jie); Xu, HB (Xu Hong-Bin); Wang, YX (Wang Yuan-Xu)
Title: Prediction of a superhard material of ReN4 with a high shear modulus
Source: CHINESE PHYSICS B, 19 (1): Art. No. 016201 JAN 2010
ISSN: 1674-1056
Article Number: 016201
Record 13 of 34
Author(s): Aydin, S (Aydin, Sezgin); Simsek, M (Simsek, Mehmet)
Title: First-principles calculations of MnB2, TcB2, and ReB2 within the ReB2-type structure
Source: PHYSICAL REVIEW B, 80 (13): Art. No. 134107 OCT 2009
ISSN: 1098-0121
Article Number: 134107
DOI: 10.1103/PhysRevB.80.134107
Record 14 of 34
Author(s): Levine, JB (Levine, Jonathan B.); Tolbert, SH (Tolbert, Sarah H.); Kaner, RB (Kaner, Richard B.)
Title: Advancements in the Search for Superhard Ultra-Incompressible Metal Borides
Source: ADVANCED FUNCTIONAL MATERIALS, 19 (22): 3519-3533 NOV 23 2009
ISSN: 1616-301X
DOI: 10.1002/adfm.200901257
Record 15 of 34
Author(s): Zhao, WJ (Zhao, Wen Jie); Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan xu)
Title: A hard semiconductor OsN4 with high elastic constant c(44)
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (7-8): 272-274 OCT 2009
ISSN: 1862-6254
DOI: 10.1002/pssr.200903252
Record 16 of 34
Author(s): Zhao, WJ (Zhao, Wen Jie); Wang, YX (Wang, Yuan xu)
Title: Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 26
calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 182 (10): 2880-2886 OCT 2009
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2009.07.054
Record 17 of 34
Author(s): Li, YL (Li Yan-Ling); Zhong, GH (Zhong Guo-Hua); Zeng, Z (Zeng Zhi)
Title: All-electron study of ultra-incompressible superhard material ReB2: structural and electronic
properties
Source: CHINESE PHYSICS B, 18 (10): 4437-4442 OCT 2009
ISSN: 1674-1056
Record 18 of 34
Author(s): Ivanov, BL (Ivanov, Borislav L.); Wellons, MS (Wellons, Matthew S.); Lukehart, CM (Lukehart,
Charles M.)
Title: Confined-Plume Chemical Deposition: Rapid Synthesis of Crystalline Coatings of Known Hard or
Superhard Materials on Inorganic or Organic Supports by Resonant IR Decomposition of Molecular
Precursors
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 131 (33): 11744-11750 AUG 26 2009
ISSN: 0002-7863
DOI: 10.1021/ja901570s
Record 19 of 34
Author(s): Zogal, OJ (Zogal, O. J.); Fojud, Z (Fojud, Z.); Herzig, P (Herzig, P.); Pietraszko, A (Pietraszko,
A.); Lyashchenko, AB (Lyashchenko, A. B.); Jurga, S (Jurga, S.); Paderno, VN (Paderno, V. N.)
Title: Crystal structure, electric field gradient, and electronic charge densities in ReB2: A single crystal x-ray,
B-11 nuclear magnetic resonance, and first-principles study
Source: JOURNAL OF APPLIED PHYSICS, 106 (3): Art. No. 033514 AUG 1 2009
ISSN: 0021-8979
Article Number: 033514
DOI: 10.1063/1.3190529
Record 20 of 34
Author(s): Lazar, P (Lazar, Petr); Chen, XQ (Chen, Xing-Qiu); Podloucky, R (Podloucky, Raimund)
Title: First-principles modeling of hardness in transition-metal diborides
Source: PHYSICAL REVIEW B, 80 (1): Art. No. 012103 JUL 2009
ISSN: 1098-0121
Article Number: 012103
DOI: 10.1103/PhysRevB.80.012103
Record 21 of 34
Author(s): Cui, SX (Cui, Shouxin); Feng, WX (Feng, Wenxia); Hu, HQ (Hu, Haiquan); Feng, ZB (Feng,
Zhenbao); Liu, H (Liu, Hong)
Title: Hexagonal Ti2SC with high hardness and brittleness: a first-principles study
Source: SCRIPTA MATERIALIA, 61 (6): 576-579 SEP 2009
ISSN: 1359-6462
DOI: 10.1016/j.scriptamat.2009.05.026
Record 22 of 34
Author(s): Ivanovskii, AL (Ivanovskii, A. L.)
Title: Platinum group metal nitrides and carbides: synthesis, properties and simulation
Source: RUSSIAN CHEMICAL REVIEWS, 78 (4): 303-318 2009
ISSN: 0036-021X
DOI: 10.1070/RC2009v078n04ABEH004036
Record 23 of 34
Author(s): Wang, J (Wang, Jie); Wang, YJ (Wang, Yun-Jiang)
Title: Mechanical and electronic properties of 5d transition metal diborides MB2 (M=Re, W, Os, Ru)
Source: JOURNAL OF APPLIED PHYSICS, 105 (8): Art. No. 083539 APR 15 2009
ISSN: 0021-8979
Article Number: 083539
DOI: 10.1063/1.3116722
Record 24 of 34
Author(s): Jiang, C (Jiang, Chao); Lin, ZJ (Lin, Zhijun); Zhang, JZ (Zhang, Jianzhong); Zhao, YS (Zhao,
Yusheng)
Title: First-principles prediction of mechanical properties of gamma-boron
Source: APPLIED PHYSICS LETTERS, 94 (19): Art. No. 191906 MAY 11 2009
ISSN: 0003-6951
Article Number: 191906
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 27
DOI: 10.1063/1.3133943
Record 25 of 34
Author(s): Koehler, MR (Koehler, Michael R.); Keppens, V (Keppens, Veerle); Sales, BC (Sales, Brian C.);
Jin, RY (Jin, Rongying); Mandrus, D (Mandrus, David)
Title: Elastic moduli of superhard rhenium diboride
Source: JOURNAL OF PHYSICS D-APPLIED PHYSICS, 42 (9): Art. No. 095414 MAY 7 2009
ISSN: 0022-3727
Article Number: 095414
DOI: 10.1088/0022-3727/42/9/095414
Record 26 of 34
Author(s): Levine, JB (Levine, Jonathan B.); Nguyen, SL (Nguyen, Sandy L.); Rasool, HI (Rasool, Haider I.);
Wright, JA (Wright, Jeffrey A.); Brown, SE (Brown, Stuart E.); Kaner, RB (Kaner, Richard B.)
Title: Preparation and Properties of Metallic, Superhard Rhenium Diboride Crystals
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130 (50): 16953-16958 DEC 17 2008
ISSN: 0002-7863
DOI: 10.1021/ja804989q
Record 27 of 34
Author(s): Ren, FZ (Ren Feng-Zhu); Wang, YX (Wang Yuan-Xu); Zhang, GB (Zhang Guang-Biao)
Title: Pressure-Induced Phase Transition of Ruthenium Diboride
Source: CHINESE PHYSICS LETTERS, 26 (1): Art. No. 016102 JAN 2009
ISSN: 0256-307X
Article Number: 016102
Record 28 of 34
Author(s): Gou, HY (Gou, Huiyang); Wang, ZB (Wang, Zhibin); Zhang, JW (Zhang, Jingwu); Yan, ST (Yan,
Shuting); Gao, FM (Gao, Faming)
Title: Structural Stability and Elastic and Electronic Properties of Rhenium Borides: First Principle
Investigations
Source: INORGANIC CHEMISTRY, 48 (2): 581-587 JAN 19 2009
ISSN: 0020-1669
DOI: 10.1021/ic8019606
Record 29 of 34
Author(s): Peng, F (Peng, Feng); Liu, Q (Liu, Qiang); Fu, HZ (Fu, Hongzhi); Yang, XD (Yang, Xiangdong)
Title: Electronic and thermodynamic properties of ReB2 under high pressure and temperature
Source: SOLID STATE COMMUNICATIONS, 149 (1-2): 56-59 JAN 2009
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2008.10.010
Record 30 of 34
Author(s): Zhu, XL (Zhu, Xiaoling); Li, DH (Li, Dehua); Cheng, XL (Cheng, Xinlu)
Title: Elasticity properties of the low-compressible material ReB2
Source: SOLID STATE COMMUNICATIONS, 147 (7-8): 301-304 AUG 2008
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2008.05.038
Record 31 of 34
Author(s): Lue, CS (Lue, C. S.); Tao, YF (Tao, Y. F.); Su, TH (Su, T. H.)
Title: Comparative NMR investigation of the Re-based borides
Source: PHYSICAL REVIEW B, 78 (3): Art. No. 033107 JUL 2008
ISSN: 1098-0121
Article Number: 033107
DOI: 10.1103/PhysRevB.78.033107
Record 32 of 34
Author(s): Wang, YQ (Wang Yue-Qin); Yuan, LF (Yuan Lan-Feng); Yang, JL (Yang Jin-Long)
Title: Lattice dynamics and superconductivity of RuB2: A first-principles study
Source: CHINESE PHYSICS LETTERS, 25 (8): 3036-3039 AUG 2008
ISSN: 0256-307X
Record 33 of 34
Author(s): Chung, HY (Chung, Hsiu-Ying); Weinberger, MB (Weinberger, Michelle B.); Yang, JM (Yang,
Jenn-Ming); Tolbert, SH (Tolbert, Sarah H.); Kaner, RB (Kaner, Richard B.)
Title: Correlation between hardness and elastic moduli of the ultraincompressible transition metal diborides
RuB2, OsB2, and ReB2
Source: APPLIED PHYSICS LETTERS, 92 (26): Art. No. 261904 JUN 30 2008
ISSN: 0003-6951
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 28
Article Number: 261904
DOI: 10.1063/1.2946665
Record 34 of 34
Author(s): Yang, J (Yang, Jun); Sun, H (Sun, Hong); Chen, CF (Chen, Changfeng)
Title: Is osmium diboride an ultra-hard material?
Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 130 (23): 7200-+ JUN 11 2008
ISSN: 0002-7863
DOI: 10.1021/ja801520v
WANG YX PHYS REV B 2007 75 ARTN 104110
Record 1 of 25
Author(s): Gao, FM (Gao, F. M.); Gao, LH (Gao, L. H.)
Title: Microscopic Models of Hardness
Source: JOURNAL OF SUPERHARD MATERIALS, 32 (3): 148-166 JUN 2010
ISSN: 1063-4576
DOI: 10.3103/S1063457610030020
Record 2 of 25
Author(s): Li, Q (Li, Q.); Wang, H (Wang, H.); Ma, YM (Ma, Y. M.)
Title: Predicting New Superhard Phases
Source: JOURNAL OF SUPERHARD MATERIALS, 32 (3): 192-204 JUN 2010
ISSN: 1063-4576
DOI: 10.3103/S1063457610030056
Record 3 of 25
Author(s): Chen, W (Chen, W.); Jiang, JZ (Jiang, J. Z.)
Title: Elastic and electronic properties of low compressible 4d transition metal diborides: First principles
calculations
Source: SOLID STATE COMMUNICATIONS, 150 (43-44): 2093-2096 NOV 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.09.021
Record 4 of 25
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: Investigation of tetragonal ReN2 and WN2 with high shear moduli from first-principles calculations
Source: PHYSICS LETTERS A, 374 (25): 2569-2574 MAY 31 2010
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2010.04.020
Record 5 of 25
Author(s): Zhao, ZS (Zhao, Zhisheng); Wang, M (Wang, Meng); Cui, L (Cui, Lin); He, JL (He, Julong); Yu,
DL (Yu, Dongli); Tian, YJ (Tian, Yongjun)
Title: Semiconducting Superhard Ruthenium Monocarbide
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 114 (21): 9961-9964 JUN 3 2010
ISSN: 1932-7447
DOI: 10.1021/jp1000896
Record 6 of 25
Author(s): Li, YW (Li, Yinwei); Ma, YM (Ma, Yanming)
Title: Crystal structure and physical properties of OsN: First-principle calculations
Source: SOLID STATE COMMUNICATIONS, 150 (15-16): 759-762 APR 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.01.026
Record 7 of 25
Author(s): Wang, JM (Wang, Jiemin); Sun, JF (Sun, Jinfeng)
Title: Elastic and thermodynamic properties of IrN2 under pressure
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (4): 921-926 APR 2010
ISSN: 0370-1972
DOI: 10.1002/pssb.200945378
Record 8 of 25
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu)
Title: Investigation of osmium carbides with various stoichiometries: First-principles calculations
Source: JOURNAL OF APPLIED PHYSICS, 107 (5): Art. No. 053506 MAR 1 2010
ISSN: 0021-8979
Article Number: 053506
DOI: 10.1063/1.3309787
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 29
Record 9 of 25
Author(s): Song, L (Song, Lu); Wang, YX (Wang, Yuan-Xu)
Title: First-principles study of W, WN, WN2, and WN3
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (1): 54-58 JAN 2010
ISSN: 0370-1972
DOI: 10.1002/pssb.200945310
Record 10 of 25
Author(s): Chen, W (Chen, W.); Tse, JS (Tse, J. S.); Jiang, JZ (Jiang, J. Z.)
Title: An ab initio study of 5d noble metal nitrides: OsN2, IrN2, PtN2 and AuN2
Source: SOLID STATE COMMUNICATIONS, 150 (3-4): 181-186 JAN 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2009.10.029
Record 11 of 25
Author(s): Zhao, WJ (Zhao Wen-Jie); Xu, HB (Xu Hong-Bin); Wang, YX (Wang Yuan-Xu)
Title: Prediction of a superhard material of ReN4 with a high shear modulus
Source: CHINESE PHYSICS B, 19 (1): Art. No. 016201 JAN 2010
ISSN: 1674-1056
Article Number: 016201
Record 12 of 25
Author(s): Stournara, ME (Stournara, M. E.); Ramprasad, R (Ramprasad, R.)
Title: A first principles investigation of isotactic polypropylene
Source: JOURNAL OF MATERIALS SCIENCE, 45 (2): 443-447 JAN 2010
ISSN: 0022-2461
DOI: 10.1007/s10853-009-3960-3
Record 13 of 25
Author(s): Chen, W (Chen, W.); Tse, JS (Tse, J. S.); Jiang, JZ (Jiang, J. Z.)
Title: Stability, elastic and electronic properties of palladium nitride
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (1): Art. No. 015404 JAN 13 2010
ISSN: 0953-8984
Article Number: 015404
DOI: 10.1088/0953-8984/22/1/015404
Record 14 of 25
Author(s): Zhao, WJ (Zhao, Wen Jie); Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan xu)
Title: A hard semiconductor OsN4 with high elastic constant c(44)
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (7-8): 272-274 OCT 2009
ISSN: 1862-6254
DOI: 10.1002/pssr.200903252
Record 15 of 25
Author(s): Zhao, WJ (Zhao, Wen Jie); Wang, YX (Wang, Yuan xu)
Title: Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle
calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 182 (10): 2880-2886 OCT 2009
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2009.07.054
Record 16 of 25
Author(s): Li, YW (Li, Yinwei); Wang, H (Wang, Hui); Li, Q (Li, Quan); Ma, YM (Ma, Yanming); Cui, T (Cui,
Tian); Zou, GT (Zou, Guangtian)
Title: Twofold Coordinated Ground-State and Eightfold High-Pressure Phases of Heavy Transition Metal
Nitrides MN2 (M = Os, Ir, Ru, and Rh)
Source: INORGANIC CHEMISTRY, 48 (20): 9904-9909 OCT 19 2009
ISSN: 0020-1669
DOI: 10.1021/ic9014702
Record 17 of 25
Author(s): Ivanovskii, AL (Ivanovskii, A. L.)
Title: Platinum group metal nitrides and carbides: synthesis, properties and simulation
Source: RUSSIAN CHEMICAL REVIEWS, 78 (4): 303-318 2009
ISSN: 0036-021X
DOI: 10.1070/RC2009v078n04ABEH004036
Record 18 of 25
Author(s): Wang, H (Wang, Hui); Li, Q (Li, Quan); Li, YE (Li, Yinwei); Xu, Y (Xu, Ying); Cui, T (Cui, Tian);
Oganov, AR (Oganov, Artem R.); Ma, YM (Ma, Yanming)
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 30
Title: Ultra-incompressible phases of tungsten dinitride predicted from first principles
Source: PHYSICAL REVIEW B, 79 (13): Art. No. 132109 APR 2009
ISSN: 1098-0121
Article Number: 132109
DOI: 10.1103/PhysRevB.79.132109
Record 19 of 25
Author(s): Zhao, E (Zhao, Erjun); Wu, ZJ (Wu, Zhijian)
Title: Structural, electronic and mechanical properties of ReN2 from first principles
Source: COMPUTATIONAL MATERIALS SCIENCE, 44 (2): 531-535 DEC 2008
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2008.04.016
Record 20 of 25
Author(s): Paduani, C (Paduani, C.)
Title: Band structure of the mononitrides CoN, NiN and CuN in the zincblende structure
Source: SOLID STATE COMMUNICATIONS, 148 (7-8): 297-300 NOV 2008
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2008.09.010
Record 21 of 25
Author(s): Wu, ZJ (Wu, Zhijian); Meng, J (Meng, Jian)
Title: Ab initio study on the physical properties of CoN3 and RhN3 with skutterudite structure
Source: COMPUTATIONAL MATERIALS SCIENCE, 43 (3): 495-500 SEP 2008
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2007.12.013
Record 22 of 25
Author(s): Hernandez, ER (Hernandez, Eduardo R.); Canadell, E (Canadell, Enric)
Title: Marcasite vs. arsenopyrite structural choice in MN2 (M = Ir, Os and Rh) transition metal nitrides
Source: JOURNAL OF MATERIALS CHEMISTRY, 18 (18): 2090-2095 2008
ISSN: 0959-9428
DOI: 10.1039/b718857a
Record 23 of 25
Author(s): Aberg, D (Aberg, Daniel); Sadigh, B (Sadigh, Babak); Crowhurst, J (Crowhurst, Jonathan);
Goncharov, AF (Goncharov, Alexander F.)
Title: Thermodynamic ground states of platinum metal nitrides
Source: PHYSICAL REVIEW LETTERS, 100 (9): Art. No. 095501 MAR 7 2008
ISSN: 0031-9007
Article Number: 095501
DOI: 10.1103/PhysRevLett.100.095501
Record 24 of 25
Author(s): Wang, YX (Wang, Yuan xu)
Title: Elastic and electronic properties of TcB2 and superhard ReB2: First-principles calculations
Source: APPLIED PHYSICS LETTERS, 91 (10): Art. No. 101904 SEP 3 2007
ISSN: 0003-6951
Article Number: 101904
DOI: 10.1063/1.2780077
Record 25 of 25
Author(s): Wu, ZJ (Wu, Zhi-jian); Zhao, EJ (Zhao, Er-jun); Xiang, HP (Xiang, Hong-ping); Hao, XF (Hao,
Xian-feng); Liu, XJ (Liu, Xiao-juan); Meng, J (Meng, Jian)
Title: Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles
Source: PHYSICAL REVIEW B, 76 (5): Art. No. 054115 AUG 2007
ISSN: 1098-0121
Article Number: 054115
DOI: 10.1103/PhysRevB.76.054115
WANG YX APPL PHYS LETT 2007 90 ARTN 061922
WANG YX APPL PHYS LETT 2007 90 UNSP 061992
Record 1 of 25
Author(s): Chen, W (Chen, W.); Jiang, JZ (Jiang, J. Z.)
Title: Elastic and electronic properties of low compressible 4d transition metal diborides: First principles
calculations
Source: SOLID STATE COMMUNICATIONS, 150 (43-44): 2093-2096 NOV 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2010.09.021
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Record 2 of 25
Author(s): Yang, J (Yang, Jun); Gao, FM (Gao, Faming)
Title: Hardness calculations of 5d transition metal monocarbides with tungsten carbide structure
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (9): 2161-2167 SEP 2010
ISSN: 0370-1972
DOI: 10.1002/pssb.201046127
Record 3 of 25
Author(s): Feng, WX (Feng, Wenxia); Cui, SX (Cui, Shouxin); Hu, HQ (Hu, Haiquan); Feng, P (Feng, Peng);
Zheng, ZY (Zheng, Ziye); Guo, YX (Guo, Yongxin); Gong, ZZ (Gong, Zizheng)
Title: First-principles study on electronic structure and elastic properties of hexagonal Zr2Sc
Source: PHYSICA B-CONDENSED MATTER, 405 (20): 4294-4298 OCT 15 2010
ISSN: 0921-4526
DOI: 10.1016/j.physb.2010.07.029
Record 4 of 25
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu); Lo, VC (Lo, V. C.)
Title: Investigation of tetragonal ReN2 and WN2 with high shear moduli from first-principles calculations
Source: PHYSICS LETTERS A, 374 (25): 2569-2574 MAY 31 2010
ISSN: 0375-9601
DOI: 10.1016/j.physleta.2010.04.020
Record 5 of 25
Author(s): Cui, SX (Cui, Shouxin); Feng, WX (Feng, Wenxia); Hu, HQ (Hu, Haiquan); Gong, ZZ (Gong,
Zizheng); Liu, H (Liu, Hong)
Title: Structural phase transition and 5f-electrons localization of PuSe explored by ab initio calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 183 (4): 895-900 APR 2010
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2010.02.013
Record 6 of 25
Author(s): Du, XP (Du, Xiang Po); Wang, YX (Wang, Yuan xu)
Title: Investigation of osmium carbides with various stoichiometries: First-principles calculations
Source: JOURNAL OF APPLIED PHYSICS, 107 (5): Art. No. 053506 MAR 1 2010
ISSN: 0021-8979
Article Number: 053506
DOI: 10.1063/1.3309787
Record 7 of 25
Author(s): Feng, WX (Feng, Wenxia); Cui, SX (Cui, Shouxin); Hu, HQ (Hu, Haiquan); Gong, ZZ (Gong,
Zizheng); Liu, H (Liu, Hong)
Title: Structural stabilities, electronic and elastic properties for LaSb: A first-principles study
Source: COMPUTATIONAL MATERIALS SCIENCE, 47 (4): 1060-1063 FEB 2010
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2009.12.010
Record 8 of 25
Author(s): Song, L (Song, Lu); Wang, YX (Wang, Yuan-Xu)
Title: First-principles study of W, WN, WN2, and WN3
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 247 (1): 54-58 JAN 2010
ISSN: 0370-1972
DOI: 10.1002/pssb.200945310
Record 9 of 25
Author(s): Chen, W (Chen, W.); Tse, JS (Tse, J. S.); Jiang, JZ (Jiang, J. Z.)
Title: An ab initio study of 5d noble metal nitrides: OsN2, IrN2, PtN2 and AuN2
Source: SOLID STATE COMMUNICATIONS, 150 (3-4): 181-186 JAN 2010
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2009.10.029
Record 10 of 25
Author(s): Chen, W (Chen, W.); Tse, JS (Tse, J. S.); Jiang, JZ (Jiang, J. Z.)
Title: Stability, elastic and electronic properties of palladium nitride
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (1): Art. No. 015404 JAN 13 2010
ISSN: 0953-8984
Article Number: 015404
DOI: 10.1088/0953-8984/22/1/015404
Record 11 of 25
Author(s): Peng, F (Peng, Feng); Chen, D (Chen, Dong); Yang, XD (Yang, Xiangdong)
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 32
Title: First-principles calculations on elasticity of OsN2 under pressure
Source: SOLID STATE COMMUNICATIONS, 149 (47-48): 2135-2138 DEC 2009
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2009.09.028
Record 12 of 25
Author(s): Zhao, WJ (Zhao, Wen Jie); Bin Xu, H (Bin Xu, Hong); Wang, YX (Wang, Yuan xu)
Title: A hard semiconductor OsN4 with high elastic constant c(44)
Source: PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 3 (7-8): 272-274 OCT 2009
ISSN: 1862-6254
DOI: 10.1002/pssr.200903252
Record 13 of 25
Author(s): Cai, J (Cai, Jun); Zhao, EJ (Zhao, Erjun); Wu, ZJ (Wu, Zhijian)
Title: First principles investigation on the structural, mechanical and electronic properties of OsC2
Source: COMPUTATIONAL MATERIALS SCIENCE, 46 (4): 1098-1101 OCT 2009
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2009.05.024
Record 14 of 25
Author(s): Zhao, WJ (Zhao, Wen Jie); Wang, YX (Wang, Yuan xu)
Title: Structural, mechanical, and electronic properties of TaB2, TaB, IrB2, and IrB: First-principle
calculations
Source: JOURNAL OF SOLID STATE CHEMISTRY, 182 (10): 2880-2886 OCT 2009
ISSN: 0022-4596
DOI: 10.1016/j.jssc.2009.07.054
Record 15 of 25
Author(s): Cui, SX (Cui, Shouxin); Feng, WX (Feng, Wenxia); Hu, HQ (Hu, Haiquan); Feng, ZB (Feng,
Zhenbao); Liu, H (Liu, Hong)
Title: Hexagonal Ti2SC with high hardness and brittleness: a first-principles study
Source: SCRIPTA MATERIALIA, 61 (6): 576-579 SEP 2009
ISSN: 1359-6462
DOI: 10.1016/j.scriptamat.2009.05.026
Record 16 of 25
Author(s): Ivanovskii, AL (Ivanovskii, A. L.)
Title: Platinum group metal nitrides and carbides: synthesis, properties and simulation
Source: RUSSIAN CHEMICAL REVIEWS, 78 (4): 303-318 2009
ISSN: 0036-021X
DOI: 10.1070/RC2009v078n04ABEH004036
Record 17 of 25
Author(s): Cui, SX (Cui, Shouxin); Feng, WX (Feng, Wenxia); Hu, HQ (Hu, Haiquan); Feng, ZB (Feng,
Zhenbao); Liu, H (Liu, Hong)
Title: First-principles study of high-pressure phase transformations in LaBi
Source: SOLID STATE COMMUNICATIONS, 149 (25-26): 996-999 JUL 2009
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2009.04.012
Record 18 of 25
Author(s): Zhu, Y (Zhu, Y.); Fan, CZ (Fan, C. Z.); Zhang, XY (Zhang, X. Y.); Zhang, SH (Zhang, S. H.); Li,
LX (Li, L. X.); Zhang, SL (Zhang, S. L.); Jin, HY (Jin, H. Y.); Liu, RP (Liu, R. P.)
Title: Theoretical study of the properties of PtN2 with pyrite and marcasite structures
Source: SOLID STATE COMMUNICATIONS, 149 (25-26): 1021-1024 JUL 2009
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2009.04.005
Record 19 of 25
Author(s): Ren, FZ (Ren Feng-Zhu); Wang, YX (Wang Yuan-Xu); Zhang, GB (Zhang Guang-Biao)
Title: Pressure-Induced Phase Transition of Ruthenium Diboride
Source: CHINESE PHYSICS LETTERS, 26 (1): Art. No. 016102 JAN 2009
ISSN: 0256-307X
Article Number: 016102
Record 20 of 25
Author(s): Patil, SKR (Patil, S. K. R.); Mangale, NS (Mangale, N. S.); Khare, SV (Khare, S. V.); Marsillac, S
(Marsillac, S.)
Title: Super hard cubic phases of period VI transition metal nitrides: First principles investigation
Source: THIN SOLID FILMS, 517 (2): 824-827 NOV 28 2008
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 33
ISSN: 0040-6090
DOI: 10.1016/j.tsf.2008.07.034
Record 21 of 25
Author(s): Zhao, E (Zhao, Erjun); Wu, ZJ (Wu, Zhijian)
Title: Structural, electronic and mechanical properties of ReN2 from first principles
Source: COMPUTATIONAL MATERIALS SCIENCE, 44 (2): 531-535 DEC 2008
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2008.04.016
Record 22 of 25
Author(s): Paduani, C (Paduani, C.)
Title: Band structure of the mononitrides CoN, NiN and CuN in the zincblende structure
Source: SOLID STATE COMMUNICATIONS, 148 (7-8): 297-300 NOV 2008
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2008.09.010
Record 23 of 25
Author(s): Wu, ZJ (Wu, Zhijian); Meng, J (Meng, Jian)
Title: Ab initio study on the physical properties of CoN3 and RhN3 with skutterudite structure
Source: COMPUTATIONAL MATERIALS SCIENCE, 43 (3): 495-500 SEP 2008
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2007.12.013
Record 24 of 25
Author(s): Wang, YX (Wang, Yuan xu)
Title: Elastic and electronic properties of TcB2 and superhard ReB2: First-principles calculations
Source: APPLIED PHYSICS LETTERS, 91 (10): Art. No. 101904 SEP 3 2007
ISSN: 0003-6951
Article Number: 101904
DOI: 10.1063/1.2780077
Record 25 of 25
Author(s): Wu, ZJ (Wu, Zhi-jian); Zhao, EJ (Zhao, Er-jun); Xiang, HP (Xiang, Hong-ping); Hao, XF (Hao,
Xian-feng); Liu, XJ (Liu, Xiao-juan); Meng, J (Meng, Jian)
Title: Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles
Source: PHYSICAL REVIEW B, 76 (5): Art. No. 054115 AUG 2007
ISSN: 1098-0121
Article Number: 054115
DOI: 10.1103/PhysRevB.76.054115
WANG YX PHYS STATUS SOLIDI B 2007 244 602
Record 1 of 2
Author(s): Eglitis, RI (Eglitis, R. I.); Rohlfing, M (Rohlfing, M.)
Title: First-principles calculations of the atomic and electronic structure of SrZrO3 and PbZrO3 (001) and
(011) surfaces
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (41): Art. No. 415901 OCT 20 2010
ISSN: 0953-8984
Article Number: 415901
DOI: 10.1088/0953-8984/22/41/415901
Record 2 of 2
Author(s): Kotomin, EA (Kotomin, E. A.); Piskunov, S (Piskunov, S.); Zhukovskii, YF (Zhukovskii, Yu. F.);
Eglitis, RI (Eglitis, R. I.); Gopejenko, A (Gopejenko, A.); Ellis, DE (Ellis, D. E.)
Title: The electronic properties of an oxygen vacancy at ZrO2-terminated (001) surfaces of a cubic PbZrO3:
computer simulations from the first principles
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 10 (29): 4258-4263 2008
ISSN: 1463-9076
DOI: 10.1039/b802740d
WANG YX APPL PHYS LETT 2006 88 ARTN 091909
Record 1 of 12
Author(s): Iles, N (Iles, N.); Finocchi, F (Finocchi, F.); Khodja, KD (Khodja, K. Driss)
Title: A systematic study of ideal and double layer reconstructions of ABO(3)(001) surfaces (A = Sr, Ba; B =
Ti, Zr) from first principles
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (30): Art. No. 305001 AUG 4 2010
ISSN: 0953-8984
Article Number: 305001
DOI: 10.1088/0953-8984/22/30/305001
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 34
Record 2 of 12
Author(s): Bandura, AV (Bandura, A. V.); Evarestov, RA (Evarestov, R. A.); Kuruch, DD (Kuruch, D. D.)
Title: Hybrid HF-DFT modeling of monolayer water adsorption on (001) surface of cubic BaHfO3 and
BaZrO3 crystals
Source: SURFACE SCIENCE, 604 (19-20): 1591-1597 SEP 2010
ISSN: 0039-6028
DOI: 10.1016/j.susc.2010.05.030
Record 3 of 12
Author(s): Iles, N (Iles, N.); Finocchi, F (Finocchi, F.); Khodja, KD (Khodja, K. Driss)
Title: A systematic study of ideal and double layer reconstructions of ABO(3)(001) surfaces (A = Sr, Ba; B =
Ti, Zr) from first principles
Source: JOURNAL OF PHYSICS-CONDENSED MATTER, 22 (30): Art. No. 305001 AUG 4 2010
ISSN: 0953-8984
Article Number: 305001
DOI: 10.1088/0953-8984/22/30/305001
Record 4 of 12
Author(s): Schwingenschlogl, U (Schwingenschloegl, U.); Schuster, C (Schuster, C.)
Title: Interface relaxation and electrostatic charge depletion in the oxide heterostructure LaAlO3/SrTiO3
Source: EPL, 86 (2): Art. No. 27005 APR 2009
ISSN: 0295-5075
Article Number: 27005
DOI: 10.1209/0295-5075/86/27005
Record 5 of 12
Author(s): Ni, GX (Ni Guang-Xin); Wang, YX (Wang Yuan-Xu)
Title: First-principles study of the (001) surface of cubic PbHfO3 and BaHfO3
Source: CHINESE PHYSICS B, 18 (3): 1194-1200 MAR 2009
ISSN: 1674-1056
Record 6 of 12
Author(s): Feng, ZB (Feng, Zhenbao); Hu, HQ (Hu, Haiquan); Cui, SX (Cui, Shouxin); Bai, CL (Bai,
Chenglin)
Title: First-principles study of optical properties of SrZrO3 in cubic phase
Source: SOLID STATE COMMUNICATIONS, 148 (9-10): 472-475 DEC 2008
ISSN: 0038-1098
DOI: 10.1016/j.ssc.2008.08.030
Record 7 of 12
Author(s): Brillant, G (Brillant, G.); Pasturel, A (Pasturel, A.)
Title: Study of Ba and Zr stability in UO2 +/- x by density functional calculations
Source: PHYSICAL REVIEW B, 77 (18): Art. No. 184110 MAY 2008
ISSN: 1098-0121
Article Number: 184110
DOI: 10.1103/PhysRevB.77.184110
Record 8 of 12
Author(s): Fechner, M (Fechner, M.); Ostanin, S (Ostanin, S.); Mertig, I (Mertig, I.)
Title: Effect of the surface polarization in polar perovskites studied from first principles
Source: PHYSICAL REVIEW B, 77 (9): Art. No. 094112 MAR 2008
ISSN: 1098-0121
Article Number: 094112
DOI: 10.1103/PhysRevB.77.094112
Record 9 of 12
Author(s): Sambrano, JR (Sambrano, J. R.); Longo, VM (Longo, V. M.); Longo, E (Longo, E.); Taft, CA (Taft,
C. A.)
Title: Electronic and structural properties of the (001) SrZrO3 surface
Source: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 813 (1-3): 49-56 JUL 1 2007
ISSN: 0166-1280
DOI: 10.1016/j.theochem.2007.02.022
Record 10 of 12
Author(s): Heifets, E (Heifets, Eugene); Ho, J (Ho, Justin); Merinov, B (Merinov, Boris)
Title: Density functional simulation of the BaZrO3 (011) surface structure
Source: PHYSICAL REVIEW B, 75 (15): Art. No. 155431 APR 2007
ISSN: 1098-0121
Article Number: 155431
DOI: 10.1103/PhysRevB.75.155431
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 35
Record 11 of 12
Author(s): Cai, MQ (Cai, Meng-Qiu); Liu, JC (Liu, Ji-Cheng); Yang, GW (Yang, Guo-Wei); Tan, X (Tan, Xin);
Cao, YL (Cao, Yun-Lun); Hu, WY (Hu, Wang-Yu); Wang, LL (Wang, Ling-Ling); Wang, YG (Wang,
Yan-Guo)
Title: Ab initio study of rumpled relaxation and core-level shift of barium titanate surface
Source: SURFACE SCIENCE, 601 (5): 1345-1350 MAR 1 2007
ISSN: 0039-6028
DOI: 10.1016/j.susc.2006.12.076
Record 12 of 12
Author(s): Ho, J (Ho, Justin); Heifets, E (Heifets, Eugene); Merinov, B (Merinov, Boris)
Title: Ab initio simulation of the BaZrO3 (001) surface structure
Source: SURFACE SCIENCE, 601 (2): 490-497 JAN 15 2007
ISSN: 0039-6028
DOI: 10.1016/j.susc.2006.10.011
WANG YX PHYS REV B 2006 73 ARTN 035411
Record 1 of 16
Author(s): Lu, S (Lu Shuo); Zhang, Y (Zhang Yue); Shang, JX (Shang Jia-Xiang)
Title: First principles study on structure and property of Si2CN4 (010) surface
Source: ACTA PHYSICA SINICA, 60 (2): - FEB 2011
ISSN: 1000-3290
Record 2 of 16
Author(s): Li, N (Li, N.); Yao, KL (Yao, K. L.); Gao, GY (Gao, G. Y.); Zhu, L (Zhu, L.); Wu, YY (Wu, Y. Y.)
Title: Surface properties of the (001) surface of cubic BaMnO3: A density functional theory study
Source: JOURNAL OF APPLIED PHYSICS, 107 (12): Art. No. 123704 JUN 15 2010
ISSN: 0021-8979
Article Number: 123704
DOI: 10.1063/1.3410797
Record 3 of 16
Author(s): Lian, SX (Lian, Shixun); Qi, Y (Qi, Yuan); Rong, CY (Rong, Chunying); Yu, LP (Yu, Liping); Zhu,
AL (Zhu, Ailing); Yin, DL (Yin, Dulin); Liu, SB (Liu, Shubin)
Title: Effectively Leveraging Solar Energy through Persistent Dual Red Phosphorescence: Preparation,
Characterization, and Density Functional Theory Study of Ca2Zn4Ti16O38:Pr3+
Source: JOURNAL OF PHYSICAL CHEMISTRY C, 114 (15): 7196-7204 APR 22 2010
ISSN: 1932-7447
DOI: 10.1021/jp911885c
Record 4 of 16
Author(s): Wang, GZ (Wang, Guo-Zhang); Li, CR (Li, Cheng-Rong); Cui, J (Cui, Jie); Man, ZY (Man,
Zhen-Yong)
Title: Ab initio study of ATiO(3) (001) surfaces
Source: SURFACE AND INTERFACE ANALYSIS, 41 (12-13): 918-923 DEC 2009
ISSN: 0142-2421
DOI: 10.1002/sia.3119
Record 5 of 16
Author(s): Lee, H (Lee, Haksung); Mizoguchi, T (Mizoguchi, Teruyasu); Yamamoto, T (Yamamoto,
Takahisa); Ikuhara, Y (Ikuhara, Yuichi)
Title: First Principles Study on Intrinsic Vacancies in Cubic and Orthorhombic CaTiO3
Source: MATERIALS TRANSACTIONS, 50 (5): 977-983 MAY 2009
ISSN: 1345-9678
DOI: 10.2320/matertrans.MC200813
Record 6 of 16
Author(s): Pang, Q (Pang, Qing); Zhang, JM (Zhang, Jian-Min); Xu, KW (Xu, Ke-Wei); Ji, V (Ji, Vincent)
Title: Structural, electronic properties and stability of the (1 x 1) PbTiO3 (111) polar surfaces by
first-principles calculations
Source: APPLIED SURFACE SCIENCE, 255 (18): 8145-8152 JUN 30 2009
ISSN: 0169-4332
DOI: 10.1016/j.apsusc.2009.05.032
Record 7 of 16
Author(s): Zhu, L (Zhu, L.); Yao, KL (Yao, K. L.); Liu, ZL (Liu, Z. L.); Zhang, DH (Zhang, D. H.)
Title: Stability and electronic structure of BiFeO3 (111) polar surfaces by first-principle calculations
Source: PHYSICS LETTERS A, 373 (27-28): 2374-2381 JUN 22 2009
ISSN: 0375-9601
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 36
DOI: 10.1016/j.physleta.2009.04.067
Record 8 of 16
Author(s): Ni, GX (Ni Guang-Xin); Wang, YX (Wang Yuan-Xu)
Title: First-principles study of the (001) surface of cubic PbHfO3 and BaHfO3
Source: CHINESE PHYSICS B, 18 (3): 1194-1200 MAR 2009
ISSN: 1674-1056
Record 9 of 16
Author(s): Zhang, JM (Zhang, Jian-Min); Pang, Q (Pang, Qing); Xu, KW (Xu, Ke-Wei); Ji, V (Ji, Vincent)
Title: First-principles study of the (110) polar surface of cubic PbTiO3
Source: COMPUTATIONAL MATERIALS SCIENCE, 44 (4): 1360-1365 FEB 2009
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2008.09.002
Record 10 of 16
Author(s): Zhang, JM (Zhang, Jian-Min); Pang, Q (Pang, Qing); Xu, KW (Xu, Ke-Wei); Ji, V (Ji, Vincent)
Title: First-principles study of the (001) surface of cubic PbTiO3
Source: SURFACE AND INTERFACE ANALYSIS, 40 (10): 1382-1387 OCT 2008
ISSN: 0142-2421
DOI: 10.1002/sia.2911
Record 11 of 16
Author(s): Eglitis, RI (Eglitis, R. I.); Vanderbilt, D (Vanderbilt, David)
Title: Ab initio calculations of the atomic and electronic structure of CaTiO3 (001) and (011) surfaces
Source: PHYSICAL REVIEW B, 78 (15): Art. No. 155420 OCT 2008
ISSN: 1098-0121
Article Number: 155420
DOI: 10.1103/PhysRevB.78.155420
Record 12 of 16
Author(s): Ni, JG (Ni Jian-Gang); Liu, N (Liu Nuo); Yang, GL (Yang Guo-Lai); Zhang, X (Zhang Xi)
Title: First-principle study on electronic structure of BaTiO3(001) surfaces
Source: ACTA PHYSICA SINICA, 57 (7): 4434-4440 JUL 2008
ISSN: 1000-3290
Record 13 of 16
Author(s): Wang, YX (Wang, Yuan xu)
Title: First-principles study of the (001) surface of cubic Ba0.5Sr0.5TiO3
Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 245 (6): 1147-1151 JUN 2008
ISSN: 0370-1972
DOI: 10.1002/pssb.200844054
Record 14 of 16
Author(s): Zhang, JM (Zhang, Jian-Min); Cui, J (Cui, Jie); Xu, KW (Xu, Ke-Wei); Ji, V (Ji, Vincent); Man, ZY
(Man, Zhen-Yong)
Title: Ab initio modeling of CaTiO3 (110) polar surfaces
Source: PHYSICAL REVIEW B, 76 (11): Art. No. 115426 SEP 2007
ISSN: 1098-0121
Article Number: 115426
DOI: 10.1103/PhysRevB.76.115426
Record 15 of 16
Author(s): Zhang, HZ (Zhang, H. Z.); Wang, SQ (Wang, S. Q.)
Title: First-principles study of Ti(3)AC(2) (A = Si, Al) (001) surfaces
Source: ACTA MATERIALIA, 55 (14): 4645-4655 AUG 2007
ISSN: 1359-6454
DOI: 10.1016/j.actamat.2007.04.033
Record 16 of 16
Author(s): Wang, ZL; Lin, CK; Liu, XM; Li, GZ; Luo, Y; Quan, ZW; Xiang, HP; Lin, J
Title: Tunable photoluminescent and cathodoluminescent properties of ZnO and ZnO : Zn phosphors
Source: JOURNAL OF PHYSICAL CHEMISTRY B, 110 (19): 9469-9476 MAY 18 2006
ISSN: 1520-6106
DOI: 10.1021/jp057214t
中国科学院文献情报中心引证检索报告-0b3c4c66-eaef-4037-b767-f872c32237c2.doc 37
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