Accuracy of density functional theory in predicting formation energies of ternary oxides from binary oxides and its implication on phase stability

Physical Review B - Condensed Matter and Materials Physics

Volumn 85, Issue 15, 2012, Pages

  Hautier, Geoffroy ^a,b   Ong, Shyue Ping ^a   Jain, Anubhav ^a   Moore, Charles J ^a   Ceder, Gerbrand ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b UNIVERSITÉ CATHOLIQUE DE LOUVAIN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84860443035     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.155208     Document Type: Article

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