First-principles prediction of metastable niobium and tantalium nitrides M 4N 5 and M 5N 6 stoichiometry

Solid State Sciences

Volumn 14, Issue 1, 2012, Pages 80-83

  Chihi, T ^a   Fatmi, M ^a   Ghebouli, B ^a  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

Author keywords

Ab initio calculations; Band structures; Mechanical properties; Nitrides

Indexed keywords

AB INITIO CALCULATIONS; ELASTIC ANISOTROPY; FIRST-PRINCIPLES; PLANE-WAVE PSEUDOPOTENTIAL METHOD;

BAND STRUCTURE; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELECTRONIC PROPERTIES; MECHANICAL PROPERTIES; NITRIDES; STOICHIOMETRY; TANTALUM; TRANSITION METALS;

NIOBIUM;

EID: 83555168173     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2011.10.020     Document Type: Article

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