On the convergence of isolated neutral oxygen vacancy and divacancy properties in metal oxides using supercell models

Journal of Chemical Physics

Volumn 122, Issue 22, 2005, Pages

  Carrasco, Javier ^a   Lopez, Nuria ^a   Illas, Francesc ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DIVACANCY PROPERTIES; METAL OXIDES; OXYGEN VACANCIES; SUPERCELL MODELS;

ALUMINA; CARRIER CONCENTRATION; CATALYSIS; CRYSTAL STRUCTURE; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; LIME; SINGLE CRYSTALS; TOPOLOGY; ZINC OXIDE;

MAGNESIA;

EID: 20544459863     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1924600     Document Type: Article

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