Polarizable interatomic force field for TiO2 parametrized using density functional theory

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 13, 2010, Pages

  Han, X J ^a,b   Bergqvist, L ^a,c   Dederichs, P H ^a   Muller Krumbhaar H ^a   Christie, J K ^d,e   Scandolo, S ^e,f   Tangney, P ^g  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

^c UPPSALA UNIVERSITY   (Sweden)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

^e ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^f DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^g IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77955216276     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.134108     Document Type: Article

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