作者: Kenichi Kato , Masaki Takata , Yuji Noguchi , Masaru Miyayama , Su Jae Kim
DOI: 10.1063/1.2768906
关键词: Powder diffraction 、 Crystallography 、 Electron density 、 Chemical bond 、 Condensed matter physics 、 Isotropy 、 Polarization (electrochemistry) 、 Materials science 、 Perovskite (structure) 、 Ferroelectricity 、 Orbital hybridisation
摘要: Electron charge density distributions in layered ferroelectrics Bi4Ti3O12 (BiT) and Bi3.25La0.75Ti3O12 (BLT) are investigated by analyzing high-energy synchrotron-radiation powder diffraction data using the maximum entropy method/Rietveld method. BiT shows that chemical bonding resulting from orbital hybridization is established between Bi–O perovskite layer only along a axis, whereas BLT exhibits isotropic of Bi∕La–O with high electron both b axes. High endurance to polarization fatigue reported for films suggested originate stabilization oxygen due Bi∕La–O.