Electronic structure of scandium nitride with nitrogen and scandium deficits

Computational Materials Science

Volumn 40, Issue 2, 2007, Pages 275-281

  Moreno Armenta, M G ^a   Soto, G ^a  

^a CENTRO DE CIENCIAS DE LA MATERIA CONDENSADA   (Mexico)

Author keywords

Ab initio; DFT; Interstitial allows; Scandium nitrides; Semiconductor; Transition metals nitrides

Indexed keywords

COMPUTATIONAL METHODS; CONDUCTION BANDS; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; NITROGEN; SCANDIUM; SEMICONDUCTOR MATERIALS; STOICHIOMETRY;

COHESIVE ENERGY; SCANDIUM NITRIDES; TRANSITION METALS NITRIDES;

SCANDIUM COMPOUNDS;

EID: 34447297530     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.12.009     Document Type: Article

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