First-principles study of zinc-blende to rocksalt phase transition in BP and BAs

Computational Materials Science

Volumn 44, Issue 4, 2009, Pages 1386-1389

  Cui, Shouxin ^a   Feng, Wenxia ^a   Hu, Haiquan ^a   Feng, Zhenbao ^a   Wang, Yuanxu ^b  

^a LIAOCHENG UNIVERSITY   (China)

^b HENAN UNIVERSITY   (China)

Author keywords

Electronic band structures; Phase transitions; Semiconductors; Semimetal

Indexed keywords

BAND STRUCTURE; CRYSTALS; ELECTRIC CONDUCTIVITY; ELECTRONIC PROPERTIES; HYDROSTATIC PRESSURE; METALLOIDS; RAPID SOLIDIFICATION; SEMICONDUCTOR MATERIALS; SOLID STATE PHYSICS; ZINC;

ELECTRONIC BAND STRUCTURES; FIRST PRINCIPLES STUDIES; PSEUDO-POTENTIAL METHODS; ROCK-SALT PHASE; SEMICONDUCTORS; SEMIMETAL; TRANSITION PRESSURES;

PHASE TRANSITIONS;

EID: 58549083942     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.09.009     Document Type: Article

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