Issue 18, 2013

Experimental visualization of the Bi–O covalency in ferroelectric bismuth ferrite (BiFeO3) by synchrotron X-ray powder diffraction analysis

Abstract

The experimental electron-density distribution of ferroelectric bismuth ferrite (BiFeO3) has been visualized using the synchrotron X-ray powder diffraction data and the maximum-entropy method. The present work has clearly revealed the partial covalency of the Bi–O bond, which is a key to understand the spontaneous polarization. Density functional theory (DFT) calculation has supported the validity of the experimental results.

Graphical abstract: Experimental visualization of the Bi–O covalency in ferroelectric bismuth ferrite (BiFeO3) by synchrotron X-ray powder diffraction analysis

Supplementary files

Article information

Article type
Communication
Submitted
18 Jan 2013
Accepted
12 Mar 2013
First published
14 Mar 2013

Phys. Chem. Chem. Phys., 2013,15, 6779-6782

Experimental visualization of the Bi–O covalency in ferroelectric bismuth ferrite (BiFeO3) by synchrotron X-ray powder diffraction analysis

K. Fujii, H. Kato, K. Omoto, M. Yashima, J. Chen and X. Xing, Phys. Chem. Chem. Phys., 2013, 15, 6779 DOI: 10.1039/C3CP50236H

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