The ground state and the bonding properties of the hypothetical cubic zinc-blende-like GeC and SnC compounds

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 282, Issue 4-5, 2001, Pages 299-308

  Benzair, A ^a   Bouhafs, B ^a   Khelifa, B ^b   Mathieu, C ^b   Aourag, H ^a  

^a UNIVERSITY OF SIDI BEL ABBES   (Algeria)

^b UNIVERSITÉ D'ARTOIS   (France)

Author keywords

Density functional theory; Full potential linearized augmented plane wave; Hypothetical cubic zinc blende

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELASTIC WAVES; ELECTRONIC PROPERTIES; GERMANIUM COMPOUNDS; GROUND STATE; GROUP THEORY; LINEARIZATION; SILICON CARBIDE; SILICON COMPOUNDS; TIN COMPOUNDS; WAVE PROPAGATION; ZINC COMPOUNDS; ZINC SULFIDE;

FULL POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; GROUND-STATE ENERGIES; LOCAL SPIN DENSITY APPROXIMATION; PRESSURE DERIVATIVES; STRUCTURAL AND ELECTRONIC PROPERTIES; TOTAL ENERGY CALCULATION; ZINC BLENDE;

DENSITY FUNCTIONAL THEORY;

CARBON; GERMANIUM; TIN; ZINC SULFIDE;

ARTICLE; ATOM; CHEMICAL BINDING; DECOMPOSITION; DENSITY; ELECTRON; ENERGY; EQUILIBRIUM CONSTANT; SEMICONDUCTOR;

EID: 0012357351     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0375-9601(01)00153-0     Document Type: Article

References (27)