DFT study of structural, elastic properties and thermodynamic parameters of Bi 2 S 3 under hydrostatic pressures

标题
DFT study of structural, elastic properties and thermodynamic parameters of Bi 2 S 3 under hydrostatic pressures
作者
关键词
DFT, Bi, 2, S, 3, crystal, Birch–Murnaghan equation of state, Elastic properties, Anisotropy, Thermal conductivity, Thermal expansion coefficient
出版物
COMPUTATIONAL MATERIALS SCIENCE
Volume 101, Issue -, Pages 301-312
出版商
Elsevier BV
发表日期
2015-02-24
DOI
10.1016/j.commatsci.2015.02.005

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