First-principles calculations of BaZrO3(001) and (011) surfaces

Journal of Physics Condensed Matter

Volumn 19, Issue 35, 2007, Pages

  Eglitis, R I ^a,b  

^a Sungkyunkwan University   (South Korea)

^b UNIVERSITY OF LATVIA   (Latvia)

Author keywords

[No Author keywords available]

Indexed keywords

BARIUM TITANATE; CALCULATIONS; DENSITY FUNCTIONAL THEORY; INTERFACIAL ENERGY; LEAD TITANATE; STRONTIUM TITANATES; SURFACE RELAXATION; ZIRCONIA;

COVALENCIES; FIRST-PRINCIPLES CALCULATION; FUNCTIONALS; NONLOCAL CORRELATIONS; SURFACE RUMPLING; THREE PARAMETER METHOD; UPPER LAYER;

BARIUM ZIRCONATE;

EID: 43449119355     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/19/35/356004     Document Type: Article

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