Validation of density-functional versus density-functional+U approaches for oxide ultrathin films

Journal of Chemical Physics

Volumn 132, Issue 12, 2010, Pages

  Barcaro, Giovanni ^a   Thomas, Iorwerth Owain ^a   Fortunelli, Alessandro ^a  

^a CNR   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; II-VI SEMICONDUCTORS; INTERFACE STATES; NICKEL OXIDE; SCANNING TUNNELING MICROSCOPY; SINGLE CRYSTAL SURFACES; SINGLE CRYSTALS; TITANIUM DIOXIDE; TRANSITION METAL OXIDES; TRANSITION METALS; ULTRATHIN FILMS; ZINC OXIDE;

DENSITY FUNCTIONALS; EARLY TRANSITION METALS; LATE TRANSITION METALS; LOCAL DENSITY OF STATE; SCREENING EFFECT; SINGLE CRYSTAL METALS; STRUCTURAL FEATURE; THEORETICAL APPROACH;

OXIDE FILMS;

EID: 77950453775     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3366689     Document Type: Article

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