First-principles study of phase transition and structural properties of AlAs

Materials Chemistry and Physics

Volumn 117, Issue 2-3, 2009, Pages 373-376

  Wang, Hai Yan ^a,b   Li, Xu Sheng ^a   Li, Chang Yun ^a   Wang, Kuang Fei ^a  

^a HENAN POLYTECHNIC UNIVERSITY   (China)

^b INSTITUTE OF FLUID PHYSICS   (China)

Author keywords

AlAs; Compressibility; Full potential linearized muffin tin orbital; Phase transition

Indexed keywords

ALAS; CELL VOLUME; CRYSTALLOGRAPHIC STRUCTURE; EXPERIMENTAL VALUES; FIRST-PRINCIPLES STUDY; FULL-POTENTIAL LINEARIZED MUFFIN-TIN ORBITAL; GENERALIZED GRADIENT APPROXIMATIONS; HIGH PRESSURE; LOW PRESSURES; ROCK SALT; STRUCTURAL PHASE TRANSITION; ZINC BLENDE;

ALUMINUM ARSENIDE; CELL MEMBRANES; COMPRESSIBILITY; DENSITY FUNCTIONAL THEORY; LINEARIZATION; TIN; ZINC;

PHASE TRANSITIONS;

EID: 67651213551     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2009.06.006     Document Type: Article

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