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
  • [11] The thermoelectric properties of XTe (X = Ge, Sn and Pb) monolayers from first-principles calculations
    Liu, Xin
    Zhang, Dingbo
    Chen, Yuanzheng
    Wang, Hui
    Ou, Kai
    Xia, Yudong
    Wang, Hongyan
    Ni, Yuxiang
    PHYSICA SCRIPTA, 2022, 97 (12)
  • [12] The structural, mechanical, electronic, optical and thermodynamic properties of t-X3As4 (X = Si, Ge and Sn) by first-principles calculations
    Yang, R.
    Ma, Y.
    Wei, Q.
    Zhang, D.
    Zhou, Y.
    CONDENSED MATTER PHYSICS, 2018, 21 (04) : 43601 - 43614
  • [13] Properties of Cmc21-X2As2O (X = Si, Ge, and Sn) by First-Principles Calculations
    Yang, Ruike
    Ma, Yucan
    Wei, Qun
    Zhang, Dongyun
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2018, 73 (11): : 1025 - 1035
  • [14] Ideal strength of Mg2X (X =Si, Ge, Sn and Pb) from first-principles
    Fan, Tou-Wen
    Ke, Jiang-Ling
    Fu, Ling
    Tang, Bi-Yu
    Peng, Li-Ming
    Ding, Wen-Jiang
    JOURNAL OF MAGNESIUM AND ALLOYS, 2013, 1 (02) : 163 - 168
  • [15] First-Principles Calculation of Dehydrogenating Properties of MgH2-X（X=Si,Ge,Sn,Pb） Systems
    周惦武
    刘金水
    张健
    彭平
    湖南大学学报(自然科学版), 2006, (06) : 85 - 89
  • [16] Investigation of the structural, electronic, magnetic, and optical properties of CsXO3 (X = Ge, Sn, Pb) perovskites: A first-principles calculations
    Ilyas, Asif
    Khan, Salman Ali
    Liaqat, Kiran
    Usman, Tariq
    OPTIK, 2021, 244
  • [17] Temperature dependent elastic coefficients of Mg2X (X = Si, Ge, Sn, Pb) compounds from first-principles calculations
    Ganeshan, S.
    Shang, S. L.
    Wang, Y.
    Liu, Z. -K.
    JOURNAL OF ALLOYS AND COMPOUNDS, 2010, 498 (02) : 191 - 198
  • [18] First-Principles Studies of Electronic Structures and Optical Properties of Cobalt-Doped VO2
    Wan, Jinyu
    Li, Xuejiao
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2023, 260 (10):
  • [19] First-Principles Calculations on the Group-IIIA Elements X-Doped (X=Ga, In, Tl) VO2
    Ren, Qinghua
    Cai, Ying
    Wang, Yuling
    Gao, Yanfeng
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2018, 255 (08):
  • [20] First-principles calculations to investigate structural, mechanical, electronic, transport and thermoelectric properties of XTiPd(X=Si, Ge, Sn, Pb) Half Heusler alloys
    Mohan, Athira
    John, Rita
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2025, 202
12345