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;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
46
引用
收藏
页码：211 / 220
相关论文
共 50 条
  • [21] First-principles investigations on electronic, elastic and optical properties of XC (X=Si, Ge, and Sn) under high pressure
    Hao, Aimin
    Yang, Xiaocui
    Wang, Xiaoming
    Zhu, Yan
    Liu, Xin
    Liu, Riping
    JOURNAL OF APPLIED PHYSICS, 2010, 108 (06)
  • [22] Effects of uniaxial strain on elastic and electronic properties of hydrogenated XC (X=Si, Ge, and Sn) monolayers by first-principles calculations
    Zhou, Yun
    Lu, Xiaoling
    Lv, Shuhui
    PHYSICS LETTERS A, 2023, 472
  • [23] First-principles study on electronic structure, phase stability, and optical properties of In2X2O7 (X= C, Si, Ge or Sn)
    Karazhanov, S. Zh
    Ravindran, P.
    Grossner, U.
    THIN SOLID FILMS, 2011, 519 (19) : 6561 - 6567
  • [24] First-principles calculations of Mg2X (X = Si, Ge, Sn) semiconductors with the calcium fluorite structure
    Guo Sandong
    JOURNAL OF SEMICONDUCTORS, 2015, 36 (05)
  • [25] First-principles calculations of Mg2X(X =Si,Ge,Sn) semiconductors with the calcium fluorite structure
    郭三栋
    Journal of Semiconductors, 2015, (05) : 12 - 17
  • [26] Studies of the Electronic and the Optical Properties of the Ordered Ternary Alloys X0.5Y0.5O2(X, Y = Si, Ge, Sn) by Using First-principles Calculations
    Geng, Zhao-Hua
    Wang, Gang
    Wu, Song
    Wang, Song-You
    Chen, Liang-Yao
    Jia, Yu
    JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2010, 56 (04) : 1311 - 1314
  • [27] Electronic and optical properties of Ti3AC2 (A=Sn, Ge, Si) MAX phases by first-principles calculations
    Ge, Jiahua
    Qi, Huarong
    Physica B: Condensed Matter, 2025, 706
  • [28] Response of Mg2X (X = Si, Ge and Sn) compounds to extreme uniaxial compression: first-principles calculations
    Behar, Fatima Zohra
    Meskine, Said
    Boukortt, Abdelkader
    Benbedra, Abdesamed
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2024, 32 (02)
  • [29] The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations
    Bafekry, Asadollah
    Shojai, Fazel
    Hoat, Doh M.
    Shahrokhi, Masoud
    Ghergherehchi, Mitra
    Nguyen, C.
    RSC ADVANCES, 2020, 10 (51) : 30398 - 30405
  • [30] Comparative first-principles calculations of electronic, optical and elastic anisotropy properties of CsXBr3 (X = Ca, Ge, Sn) crystals
    Brik, M. G.
    SOLID STATE COMMUNICATIONS, 2011, 151 (23) : 1733 - 1738
12345