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

Literature Information

Publication Date 2013-03-14
DOI 10.1039/C3CP50236H
Impact Factor 3.676
Authors

Kotaro Fujii, Hiroki Kato, Kazuki Omoto, Jun Chen, Xianran Xing


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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.

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