Electronic properties and stability of ZnO from computational study

Physica B: Condensed Matter

Volumn 403, Issue 18, 2008, Pages 3154-3158

  Azzaz, Y ^a   Kacimi, S ^a   Zaoui, A ^a   Bouhafs, B ^a  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

Author keywords

Density functional theory; Local density approximation; Pressure transition; Semiconductor; Total energy

Indexed keywords

ELECTRONIC PROPERTIES; GROUND STATE; PARAMETER ESTIMATION; SEMICONDUCTING ZINC COMPOUNDS; TIN; TITANIUM COMPOUNDS; ZINC; ZINC ALLOYS; ZINC OXIDE; ZINC SULFIDE;

BULK MODULUS; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL THEORY; EXCHANGE AND CORRELATION; EXPERIMENTAL DATA; FIRST-PRINCIPLES; GROUND-STATE PROPERTIES; LATTICE PARAMETERS; LOCAL DENSITY APPROXIMATION; LOCAL ORBITALS; LOCAL-DENSITY APPROXIMATIONS; PLANE WAVES; PRESSURE DERIVATIVES; PRESSURE TRANSITION; ROCK SALTS; SEMICONDUCTOR; STRUCTURAL PHASE STABILITY; TOTAL ENERGY; TOTAL-ENERGY CALCULATIONS; WURTZITE; ZINC-BLENDE;

PHASE STABILITY;

EID: 49049090540     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2008.03.026     Document Type: Review

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