Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria

Journal of Chemical Physics

Volumn 127, Issue 24, 2007, Pages

  Castleton, C W M ^a,b   Kullgren, J ^b   Hermansson, K ^b  

^a LINKÖPING UNIVERSITY   (Sweden)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC CHARGE; ELECTRONIC STRUCTURE; LATTICE CONSTANTS; OXYGEN VACANCIES;

DEGREE OF LOCALIZATION; ELECTRON LOCALIZATION; QUANTIFICATION;

CERIUM COMPOUNDS;

EID: 37549036261     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2800015     Document Type: Article

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