Ab initio calculations of elastic properties and electronic structure of L12-Co3(Al,W) under pressure

被引:0
|
作者
Yao, Chuansheng [1 ]
Chen, Zheng [1 ]
Du, Xiujuan [1 ]
机构
[1] State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi'an,710072, China
关键词
Ab initio calculations - Clean systems - Elastic properties - L12-Co3(Al; W) compound - Nearest neighbors - Pressure dependent - Pseudopotentials - Zero pressure;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:457 / 462
相关论文
共 50 条
  • [41] Atomic structure and electronic properties of binary graphane: Ab initio calculations
    Greshnyakov, V. A.
    Belenkov, E. A.
    INTERNATIONAL WORKSHOP ADVANCED TECHNOLOGIES IN MATERIAL SCIENCE, MECHANICAL AND AUTOMATION ENGINEERING - MIP: ENGINEERING - 2019, 2019, 537
  • [42] Elastic properties and electronic structure of L12 (Al,Si)3Sc
    Yao, Qiang
    MATERIALS AND DESIGN, PTS 1-3, 2011, 284-286 : 1987 - 1990
  • [43] Ab initio calculations of the relationship between the alpha alumina toughness and its electronic structure under pressure
    Liu, Dongliang
    Jin, Yongzhong
    Deng, Jianguo
    COMPUTATIONAL MATERIALS SCIENCE, 2009, 45 (02) : 310 - 314
  • [44] The Structural, Electronic, Elastic and Dynamic Properties of Co3W in the L12 Phase
    Arikan, Nihat
    PROCEEDINGS OF THE TURKISH PHYSICAL SOCIETY 32ND INTERNATIONAL PHYSICS CONGRESS (TPS32), 2017, 1815
  • [45] Ab-initio Study of Electronic Structure And Elastic Properties of ZrC
    Mund, H. S.
    Ahuja, B. L.
    DAE SOLID STATE PHYSICS SYMPOSIUM 2015, 2016, 1731
  • [46] Pressure Induced Structural and Electronic Properties of Plutonium Monophospide: Ab Initio Calculations
    Makode, Chandrabhan
    Srivastava, Vipul
    Sanyal, Sankar P.
    SOLID STATE PHYSICS, PTS 1 AND 2, 2012, 1447 : 87 - +
  • [47] Ab initio calculations of the electronic structure and optical properties of ferroelectric tetragonal BaTiO3
    Bagayoko, D
    Zhao, GL
    Fan, JD
    Wang, JT
    JOURNAL OF PHYSICS-CONDENSED MATTER, 1998, 10 (25) : 5645 - 5655
  • [48] Electronic structure and metallization of cubic GdH3 under pressure: Ab initio many-body GW calculations
    Kong, Bo
    Zhang, Yachao
    JOURNAL OF APPLIED PHYSICS, 2016, 120 (01)
  • [49] Ab initio calculations of the electronic, structural and elastic properties of Nb2InC
    Brik, M. G.
    Avram, N. M.
    Avram, C. N.
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 63 : 227 - 231
  • [50] Theoretical investigations on structural, elastic, thermodynamic and electronic properties of Al3Ti and Al3V compounds in L12 structure under high pressure
    Meng, Fan-Shun
    Yao, Zhen
    Vsianska, Monika
    Friak, Martin
    Sob, Mojmir
    MATERIALS RESEARCH EXPRESS, 2019, 6 (05):