Trends in electronic structures and structural properties of MAX phases: A first-principles study on M2AlC (M = Sc, Ti, Cr, Zr, Nb, Mo, Hf, or Ta), M2AlN, and hypothetical M2AlB phases

Journal of Physics Condensed Matter

Volumn 26, Issue 50, 2014, Pages

  Khazaei, Mohammad ^a   Arai, Masao ^a   Sasaki, Taizo ^a   Estili, Mehdi ^a   Sakka, Yoshio ^a  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

Author keywords

borides; ceramics; MAX phase

Indexed keywords

BORIDES; CALCULATIONS; CERAMIC MATERIALS; ELECTRONIC STRUCTURE; HAFNIUM; SCANDIUM COMPOUNDS; TRANSITION METALS;

CERAMICS; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; FORMATION ENERGIES; MAX-PHASE; STRUCTURAL APPLICATIONS; VALENCE ELECTRON CONCENTRATION;

STRUCTURAL CERAMICS;

EID: 84912078437     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/50/505503     Document Type: Article

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