Ab initio study on phase transition and magnetism of BiFeO3 under pressure

Chinese Physics B

Volumn 18, Issue 4, 2009, Pages 1574-1577

  Hong Jian, Feng ^a   Liu, Fa Min ^a  

^a BEIHANG UNIVERSITY   (China)

Author keywords

BiFeO3; Density functional theory; Phase transition

Indexed keywords

AB INITIO STUDY; BIFEO3; CRITICAL PRESSURES; FIRST-PRINCIPLES CALCULATION; HIGH SPIN STATE; INSULATOR METAL TRANSITION; INTERMEDIATE PHASE; LOCAL SPIN DENSITY APPROXIMATION; LSDA + U; MIXED PHASE; SPIN STATE;

METAL INSULATOR TRANSITION; SEMICONDUCTING BISMUTH COMPOUNDS; SPIN DYNAMICS; ULTRASONIC DELAY LINES;

DENSITY FUNCTIONAL THEORY;

EID: 67650754690     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/18/4/047     Document Type: Article

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