Systematic variations in structural and electronic properties of BiFeO3 by A-site substitution

Systematic variations in the structural and electronic properties of BiFeO3 with A-site substitutions were studied using first-principles density functional theory calculations. It is found that the ferroelectric distortion of BiFeO3 with group IIIA element (Sc3+, Y3+, and La3+) substitutions is sig...

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Bibliographic Details
Main Authors: Zhang, Zhen, Wu, Ping, Chen, Lang, Wang, Junling
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2011
Subjects:
Online Access:https://hdl.handle.net/10356/99913
http://hdl.handle.net/10220/6856
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Institution: Nanyang Technological University
Language: English