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Journal of Applied Physics

Volumn 110, Issue 10, 2011, Pages

First-principles investigations of elastic stability and electronic structure of cubic platinum carbide under pressure

(5) Sun, Xiao Wei a,b,c Chen, Qi Feng a Chen, Xiang Rong b,d Cai, Ling Cang a Jing, Fu Qian a,b

a RESEARCH CENTER OF LASER FUSION (China)

b SICHUAN UNIVERSITY (China)

c LANZHOU JIAOTONG UNIVERSITY (China)

d INTERNATIONAL CENTRE FOR MATERIALS PHYSICS (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY-FUNCTIONAL METHODS; ELASTIC STABILITY; ELECTRONIC BAND STRUCTURE; EQUATION OF STATE; EXPERIMENTAL OBSERVATION; FIRST-PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; FUNCTION OF PRESSURE; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; HIGH-PRESSURE PHASE; PARAMETERIZED; PERDEW-BURKE-ERNZERHOF; PLANE WAVE; PLANE-WAVE BASIS SET; PSEUDOPOTENTIALS; ROCK SALT; THEORETICAL CALCULATIONS; THEORETICAL INVESTIGATIONS; THEORETICAL PREDICTION; THEORETICAL RESULT; TOTAL ENERGY; ZERO PRESSURE; ZINC-BLENDE;

CALCULATIONS; CARBIDES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EQUATIONS OF STATE; PHASE STABILITY; PLATINUM; PLATINUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 82555202672 PISSN: 00218979 EISSN: None Source Type: Journal
DOI: 10.1063/1.3662143 Document Type: Conference Paper

Times cited : (23)

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