Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/99913
Title: Systematic variations in structural and electronic properties of BiFeO3 by A-site substitution
Authors: Zhang, Zhen
Wu, Ping
Chen, Lang
Wang, Junling
Keywords: DRNTU::Engineering::Materials::Microelectronics and semiconductor materials::Thin films
DRNTU::Engineering::Materials::Magnetic materials
Issue Date: 2010
Source: Zhang, Z., Wu, P., Chen, L., & Wang, J. (2010). Systematic variations in structural and electronic properties of BiFeO3 by A-site substitution. Applied Physics Letters, 96.
Series/Report no.: Applied physics letters
Abstract: 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 significantly affected by the hybridization between substitute d states and oxygen 2p states, while that with group VB element (Sb3+) substitution is stabilized by the s2 lone pair electrons. For both groups, the substitute with smaller ionic size and larger electronegativity causes more significant off-center displacement and narrower band gap.
URI: https://hdl.handle.net/10356/99913
http://hdl.handle.net/10220/6856
DOI: 10.1063/1.3279137
Rights: © 2010 American Institute of Physics. This paper was published in Applied Physics Letters and is made available as an electronic reprint (preprint) with permission of American Institute of Physics. The paper can be found at the following DOI: http://dx.doi.org/10.1063/1.3279137. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

Files in This Item:
File Description SizeFormat 
15. Systematic Variations in structural and electronic properties of BiFeO3 by A-site substitution.pdf317.19 kBAdobe PDFThumbnail
View/Open

SCOPUSTM   
Citations 5

61
Updated on Dec 28, 2021

PublonsTM
Citations 5

47
Updated on Mar 3, 2021

Page view(s) 5

887
Updated on May 20, 2022

Download(s) 5

662
Updated on May 20, 2022

Google ScholarTM

Check

Altmetric


Plumx

Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.