Self-interaction-corrected local density approximation pseudopotential calculations of the structural phase transformations of ZnO and ZnS under high pressure

Journal of Physics Condensed Matter

Volumn 12, Issue 26, 2000, Pages 5639-5653

  Qteish, A ^a  

^a YARMOUK UNIVERSITY   (Jordan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HIGH PRESSURE EFFECTS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SALTS; SEMICONDUCTOR MATERIALS; ZINC OXIDE; ZINC SULFIDE;

ELECTRONIC SELF INTERACTION CORRECTION; LOCAL DENSITY APPROXIMATION; PLANE WAVE EXPANSION; PSEUDOPOTENTIAL CALCULATIONS; ROCK SALT PHASES; VOGEL-KRUGER-POLLMAN SCHEME; WAVEFUNCTIONS; ZINC BLENDE;

PHASE TRANSITIONS;

EID: 0034225842     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/12/26/311     Document Type: Article

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