Periodic ab initio study of the electronic structure of α-Al 2O 3 and AlN(w) surfaces based on localized Wannier functions

Journal of Physical Chemistry B

Volumn 108, Issue 22, 2004, Pages 7316-7322

  Fernández Catá, Geyser ^a,f   Álvarez, Luis Javier ^b   Dovesi, Roberto ^c,d   Zicovich Wilson, Claudio M ^e  

^a Inst Sup de Tecnol/Cie Aplicadas   (Cuba)

^b INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

^c UNIVERSITY OF TURIN   (Italy)

^d INFM   (Italy)

^e UNIVERSIDAD AUTÓNOMA DEL ESTADO DE MORELOS   (Mexico)

^f UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

BLOCH FUNCTIONS; ELECTRON ACCEPTORS; ELECTRON DONATION; LOCALIZED WANNIER FUNCTIONS;

ALUMINUM NITRIDE; CHEMICAL BONDS; CORRELATION METHODS; CRYSTALLINE MATERIALS; ELECTRONIC STRUCTURE; ELECTROSTATICS; FUNCTIONS; IONIZATION; SURFACE STRUCTURE;

ALUMINA;

EID: 2942715133     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0371736     Document Type: Article

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