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First-principles study of electronic structure, optical and phonon properties of α-ZrW2O8 期刊论文
SOLID STATE COMMUNICATIONS, 2016, 卷号: 247, 页码: 58-63
作者:  Li, Jinping;  Meng, Songhe;  Qin, Liyuan;  Lu, Hantao
收藏  |  浏览/下载:146/0  |  提交时间:2017/01/13
Ab initio study on structural, electronic properties, and hardness of re-doped W2B5 期刊论文
SOLID STATE COMMUNICATIONS, 2016, 卷号: 245, 页码: 60-64
作者:  Feng, ShiQuan;  Li, XiaoDong;  Su, Lei;  Li, HaiNing;  Yang, Hongyan
收藏  |  浏览/下载:236/0  |  提交时间:2016/12/29
First-Principle Study on Compensated Half Metallic Double Perovskite Compound Ba2PrVO6 期刊论文
Journal of Superconductivity and Novel Magnetism, 2016, 卷号: 30, 期号: 2, 页码: 545-554
作者:  Gao, Qiang;  Ma, Run-Yu;  Li, Lei;  Xie, Huan-Huan;  Deng, Jian-Bo
收藏  |  浏览/下载:8/0  |  提交时间:2017/01/13
Half-metallic ferromagnetism of RbSe and CsTe compounds: A density functional theory study 期刊论文
Chemical Physics Letters, 2016, 卷号: 661, 页码: 89-93
作者:  Xie, Huan-Huan;  Ma, Run-Yu;  Gao, Qiang;  Li, Lei;  Deng, Jian-Bo
收藏  |  浏览/下载:4/0  |  提交时间:2017/01/13
Structural, electronic and mechanical properties of (NbxTi1-x)(2)SC and (NbxZr1-x)(2)SC (0 <= x <= 1) from first-principles investigations 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1090, 页码: 58-66
作者:  He, Jian;  Huang, Qing;  Liu, Guoquan;  Luo, Kan;  Lin, Fu
收藏  |  浏览/下载:22/0  |  提交时间:2019/06/20
Structural, elastic, electronic, and thermodynamic properties of MgAgSb investigated by density functional theory 期刊论文
CHINESE PHYSICS B, 2016, 卷号: 25, 页码: 6
作者:  Wang, Jun-Fei;  Fu, Xiao-Nan;  Zhang, Xiao-Dong;  Wang, Jun-Tao;  Li, Xiao-Dong
收藏  |  浏览/下载:11/0  |  提交时间:2018/05/31
First-principles study on the electronic structure, phonons and optical properties of LaB6 under high-pressure 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 卷号: 672, 页码: 419-425
Chao, Luomeng; Bao, Lihong; Wei, Wei; Tegus, O.; Zhang, Zhidong
收藏  |  浏览/下载:25/0  |  提交时间:2016/08/22
First-principles investigations on electronic and thermodynamic properties of double perovskite Sr2XMoO6 (X = Ge and Si) 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2016, 卷号: 94, 页码: 30-36
作者:  Li, L
收藏  |  浏览/下载:5/0  |  提交时间:2017/01/13
Bonding and electronic properties of the Cu2ZnSnS4 /WZ-ZnO interface from first-principles calculations 期刊论文
Journal of Physics D: Applied Physics, 2016, 卷号: 49, 期号: 28
作者:  Cheng, Yu-Wen;  Tang, Fu-Ling;  Xue, Hong-Tao;  Liu, Hong-Xia;  Gao, Bo
收藏  |  浏览/下载:0/0  |  提交时间:2020/11/14
First-Principles Study the Electronic and Thermodynamic Properties for CoBi3 Superconductor 期刊论文
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2016, 卷号: 29, 页码: 1203-1211
作者:  Wei, Xiao-Ping;  Zhou, You-He;  Zhang, Ya-Ling
收藏  |  浏览/下载:10/0  |  提交时间:2018/05/31


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