Charge Density Study on the Ferroelectric Phase in LiTaO₃ by Synchrotron Radiation Powder Diffraction

Abstract

The charge density distributions in the ferroelectric phase of LiTaO₃ have been obtained at room temperature by means of synchrotron radiation powder X-ray diffraction and the MEM/Rietveld analysis. The first experimental facts that the bonding natures on the both short and long Ta─O bonds in a distorted Ta─O₆ octahedron show covalency, whereas the Li atom is ionic, are evidenced clearly in the accurate charge density distributions.

Keywords:

• Lithium tantale (LiTaO₃)
• MEM/Rietveld method
• charge density distribution in ferroelectric phase