Energetics, electronic and optical properties of X (X = Si, Ge, Sn, Pb) doped VO2(M) from first-principles calculations

被引：0
|
作者：
Chen, Lanli [1 ]
Wang, Xiaofang [1 ]
Wan, Dongyun [1 ]
Cui, Yuanyuan [1 ]
Liu, Bin [1 ]
Shi, Siqi [1 ,2 ]
Luo, Hongjie [1 ,2 ]
Gao, Yanfeng [1 ]
机构：
[1] School of Materials Science and Engineering, Shanghai University, Shanghai,200444, China
[2] Materials Genome Institute, Shanghai University, Shanghai,200444, China
来源：
Journal of Alloys and Compounds | 2017年 / 693卷
关键词：
The authors gratefully acknowledge the intense and helpful discussions with Prof. Wenqing Zhang. This work is supported by the National Natural Science Foundation of China (Nos. 51325203; 51402182; 51622207 and U1630134 ); the Ministry of Science and Technology of China (No. 2014AA032802 ); the Shanghai Municipal Science and Technology Commission (Nos. 13521102100 and 15XD1501700 ); Shanghai Institute of Materials Genome from the Shanghai Municipal Science and Technology Commission (No. 14DZ2261200 ). All the computations were performed on the Tianhe-2 computing platform of National Supercomputer Center in Guangzhou; China;
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学科分类号：
摘要：
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页码：211 / 220
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