FP-LAPW investigation of electronic structure of TaN and TaC compounds

Computational Materials Science

Volumn 33, Issue 1-3, 2005, Pages 175-183

  Sahnoun, M ^a,b   Daul, C ^a   Driz, M ^b   Parlebas, J C ^c   Demangeat, C ^c  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b UNIVERSITÉ DE MASCARA   (Algeria)

^c INSTITUT DE PHYSIQUE ET CHIMIE DES MATÉRIAUX DE STRASBOURG   (France)

Author keywords

Elastic constants; Electronic band structure; FP LAPW + lo; Transition metals

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; BONDING; CORRELATION METHODS; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; TRANSITION METALS;

ELASTIC CONSTANTS; ELECTRONIC BAND STRUCTURE; FP-LAPW + LO; LOCAL DENSITY APPROXIMATION (LDA);

TANTALUM COMPOUNDS;

EID: 14644435832     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.12.010     Document Type: Conference Paper

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