Energetics and electronic properties of vacancies, anti-sites, and atomic defects (B, C, and N) in B2-FeAl alloys

Acta Materialia

Volumn 52, Issue 11, 2004, Pages 3263-3271

  Kellou, A ^a   Feraoun, H I ^a   Grosdidier, T ^b   Coddet, C ^a   Aourag, H ^a  

^a UNIVERSITÉ DE TECHNOLOGIE DE BELFORT MONTBÉLIARD   (France)

^b UNIVERSITÉ PAUL VERLAINE METZ   (France)

Author keywords

Ab initio calculations; Atomic and structural defects; Electronic properties; Iron aluminides

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; CONCENTRATION (PROCESS); CRYSTAL LATTICES; DEFECTS; ELECTRONIC PROPERTIES; ELECTRONS; IONIZATION; PRECIPITATION (CHEMICAL);

AB INITIO CALCULATIONS; ATOMIC AND STRUCTURAL DEFECTS; ENERGETICS; IRON-ALUMINIDES;

IRON ALLOYS;

EID: 2642574279     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2004.03.023     Document Type: Article

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