Band selection and disentanglement using maximally localized Wannier functions: The cases of Co impurities in bulk copper and the Cu(111) surface

Journal of Physics Condensed Matter

Volumn 22, Issue 38, 2010, Pages

  Korytár, Richard ^a   Pruneda, Miguel ^a   Junquera, Javier ^b   Ordejón, Pablo ^a   Lorente, Nicolás ^a  

^a CATALAN INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY ICN2   (Spain)

^b UNIVERSITY OF CANTABRIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; ELECTRONIC STRUCTURE; HAMILTONIANS; IMPURITIES; SUBSTITUTION REACTIONS; SURFACE STATES;

BAND SELECTION; DENSITY FUNCTIONALS; EXTENDED SURFACES; IMPURITIES IN; ORTHONORMAL BASIS; SHOCKLEY SURFACE STATE; SUBSTITUTIONAL IMPURITIES; WANNIER FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 77957205771     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/38/385601     Document Type: Article

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