Density functional theory plus U study of vacancy formations in bismuth ferrite

Applied Physics Letters

Volumn 96, Issue 23, 2010, Pages

  Zhang, Zhen ^a   Wu, Ping ^b   Chen, Lang ^a   Wang, Junling ^a  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

BISMUTH FERRITES; ELECTRICAL STRESS; FERROELECTRIC PROPERTY; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; FORMATION ENERGIES; FORMATION ENTHALPY; HIGH STABILITY; LOCAL DISTORTION; OXYGEN-RICH CONDITIONS; P-TYPE CONDUCTIVITY; VACANCY FORMATION;

BISMUTH; ENTHALPY; FERROELECTRICITY; OXYGEN; VACANCIES;

DENSITY FUNCTIONAL THEORY;

EID: 77953481423     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3447369     Document Type: Article

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