| Literature DB >> 23549619 |
Kotaro Fujii1, Hiroki Kato, Kazuki Omoto, Masatomo Yashima, Jun Chen, Xianran Xing.
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.Entities:
Year: 2013 PMID: 23549619 DOI: 10.1039/c3cp50236h
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN: 1463-9076 Impact factor: 3.676