BaTiO3-based nanolayers and nanotubes: First-principles calculations

Journal of Computational Chemistry

Volumn 34, Issue 3, 2013, Pages 175-186

  Evarestov, Robert A ^a   Bandura, Andrei V ^a   Kuruch, Dmitrii D ^a  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

ANTI FERROELECTRICS; ATOMIC BASIS SET; BATIO; BULK CRYSTALS; BULK PHASE; CUBIC PHASE; DENSE LAYER; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; MIRROR PLANE; NANO LAYERS; SINGLE-WALL; SRTIO; STRUCTURE OPTIMIZATION; WALL THICKNESS;

BARIUM TITANATE; FERROELECTRICITY; NANOTUBES;

CALCULATIONS;

EID: 84872321948     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23115     Document Type: Article

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