Universal electrostatic origin of cation ordering in A2BO 4 spinel oxides

Journal of the American Chemical Society

Volumn 133, Issue 30, 2011, Pages 11649-11654

  Stevanović, Vladan ^a   D'Avezac, Mayeul ^a   Zunger, Alex ^a  

^a NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADJUSTABLE PARAMETERS; ATOMIC SPECIES; CATION ORDERING; CHARACTERISTIC TEMPERATURE; DIFFERENT DISTRIBUTIONS; FINITE TEMPERATURES; MONTE CARLO SIMULATION; OCTAHEDRALLY-COORDINATED CATIONS; ORDER-DISORDER TEMPERATURES; SPINEL OXIDE; STRUCTURAL CHANGE;

COMPUTER SIMULATION; ELECTROSTATICS; MONTE CARLO METHODS;

POSITIVE IONS;

BORON DERIVATIVE; CATION; OXIDE;

ARTICLE; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; MODEL; MONTE CARLO METHOD; TEMPERATURE;

EID: 79960872033     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja2034602     Document Type: Article

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