Study on vacancy formation in ferroelectric PbTiO3 from ab initio

Applied Physics Letters

Volumn 88, Issue 14, 2006, Pages

  Zhang, Zhen ^a,b   Wu, Ping ^b   Lu, Li ^a   Shu, Chang ^a  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; ENERGY GAP; LEAD COMPOUNDS;

DENSITY FUNCTIONAL THEORY; SUPERCELL APPROACHES; VALENCE BANDS;

FERROELECTRIC MATERIALS;

EID: 33646707295     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2192623     Document Type: Article

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