Local suppression of ferroelectricity at PbTiO 3 surface steps: A density functional theory study

Journal of Physics Condensed Matter

Volumn 24, Issue 4, 2012, Pages

  Wang, X ^a   Tomoda, S ^a   Shimada, T ^a   Kitamura, T ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AB INITIO; CHARGE REDISTRIBUTION; DENSITY FUNCTIONAL THEORY CALCULATIONS; FIRST-PRINCIPLES; LOCAL VARIATIONS; POLARIZATION ROTATION; SPONTANEOUS POLARIZATIONS; SURFACE STEPS; TIO;

CALCULATIONS; FERROELECTRICITY; LEAD OXIDE; POLARIZATION; ROTATION; TITANIUM DIOXIDE;

DENSITY FUNCTIONAL THEORY;

EID: 84861852953     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/24/4/045903     Document Type: Article

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