First-principles calculations on MgO: Phonon theory versus mean-field potential approach

被引:0
|
作者
Wang, Y. [1 ]
Liu, Z.-K. [1 ]
Chen, L.-Q. [1 ]
Burakovsky, L. [2 ]
Ahuja, R. [3 ]
机构
[1] Materials Science and Engineering, Pennsylvania State University, State College, PA 16802-5006
[2] Los Alamos National Laboratory, Los Alamos, NM 87545
[3] Department of Physics, Condensed Matter Theory Group, Uppsala University, S-751 21, Uppsala, Sweden
来源
Journal of Applied Physics | 2006年 / 100卷 / 02期
关键词
49;
D O I
暂无
中图分类号
学科分类号
摘要
Journal article (JA)
引用
收藏
相关论文
共 50 条
  • [31] Thermodynamic Properties of MgSc and AlSc from First-Principles Phonon Calculations
    Rui Wang
    Shaofeng Wang
    Xiaozhi Wu
    Tingting Song
    International Journal of Thermophysics, 2012, 33 : 300 - 310
  • [32] First-principles calculations of electron mobilities in silicon: Phonon and Coulomb scattering
    Restrepo, O. D.
    Varga, K.
    Pantelides, S. T.
    APPLIED PHYSICS LETTERS, 2009, 94 (21)
  • [33] Theory of boron aggregates in diamond: First-principles calculations
    Goss, JP
    Briddon, PR
    PHYSICAL REVIEW B, 2006, 73 (08)
  • [34] First-principles calculations of phonon behaviors in graphether: a comparative study with graphene
    Yang, Xiaoheng
    Han, Dan
    Fan, Hongzhao
    Wang, Man
    Du, Mu
    Wang, Xinyu
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 23 (01) : 123 - 130
  • [35] First-principles calculations of the phonon dispersion curves of H on Pt(111)
    Hong, S
    Rahman, TS
    Heid, R
    Bohnen, KP
    PHYSICAL REVIEW B, 2005, 71 (24)
  • [36] First-principles calculations of phonon and thermodynamic properties of OsSi2
    Tani, Jun-ichi
    Kido, Hiroyasu
    MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING, 2015, 31 : 251 - 255
  • [37] Convergence acceleration and stabilization of dynamical mean-field theory calculations
    Zitko, Rok
    PHYSICAL REVIEW B, 2009, 80 (12)
  • [38] Direct first-principles chemical potential calculations of liquids
    Hong, Qi-Jun
    van de Walle, Axel
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (09):
  • [39] Thermopower switching by magnetic field: First-principles calculations
    Maslyuk, Volodymyr V.
    Achilles, Steven
    Sandratskii, Leonid
    Brandbyge, Mads
    Mertig, Ingrid
    PHYSICAL REVIEW B, 2013, 88 (08):
  • [40] Calorimetric glass transition in a mean-field theory approach
    Mariani, Manuel Sebastian
    Parisi, Giorgio
    Rainone, Corrado
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2015, 112 (08) : 2361 - 2366