First principles investigation of oxygen vacancies in columbite MNb 2O6 (M = Mn, Fe, Co, Ni, Cu)

Chemistry of Materials

Volumn 22, Issue 3, 2010, Pages 906-913

  De Arroyo Y Dompablo, M E ^a   Lee, Yueh Lin ^b   Morgan, D ^b  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAPS; COMPUTATIONAL STUDIES; CU2+ ION; ELECTRONIC CONDUCTIVITY; ELECTRONIC DENSITY; FIRST-PRINCIPLES INVESTIGATIONS; IONIC CONDUCTOR; OXIDATION STATE; OXYGEN ATOM; VACANCY FORMATION ENERGIES;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; MANGANESE; MANGANESE COMPOUNDS; METAL IONS; ORE SINTER; OXYGEN; VACANCIES;

OXYGEN VACANCIES;

EID: 76249105862     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm901723j     Document Type: Article

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