AMoO4 (A = Mg, Ni) molybdates: Phase stabilities, electronic structures and chemical bonding properties from first principles

Solid State Sciences

Volumn 12, Issue 10, 2010, Pages 1779-1785

  Matar, S F ^a   Largeteau, A ^a   Demazeau, G ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

Author keywords

ASW; DFT; GGA; Molybdates; VASP

Indexed keywords

ASW; DFT; GGA; MOLYBDATES; VASP;

CHEMICAL BONDS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EQUATIONS OF STATE; OXYGEN; PHASE STABILITY;

MOLYBDENUM COMPOUNDS;

EID: 77956948318     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2010.07.030     Document Type: Article

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