Ab initio calculations of the BaTiO3 (100) and (110) surfaces

Journal of Electroceramics

Volumn 16, Issue 4, 2006, Pages 289-292

  Eglitis, R I ^a   Borstel, G ^a   Heifets, E ^b   Piskunov, S ^a   Kotomin, E ^c  

^a UNIVERSITY OF OSNABRÜCK   (Germany)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

Ab initio calculations; B3PW method; BaTiO3; Surface energies; Surface relaxation

Indexed keywords

CERAMIC MATERIALS; CORRELATION METHODS; INTERFACIAL ENERGY; PEROVSKITE; RELAXATION PROCESSES;

AB INITIO CALCULATIONS; B3PW METHOD; SURFACE RELAXATION;

BARIUM TITANATE;

EID: 33750568457     PISSN: 13853449     EISSN: 15738663     Source Type: Journal    
DOI: 10.1007/s10832-006-9866-4     Document Type: Conference Paper

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