Chemical Bonding Nature in PbTiO3-type Ferroelectrics

2014 Fiscal Year Final Research Report

• Project/Area Number: 24560013
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Applied materials science/Crystal engineering
• Research Institution: Hiroshima University
• Principal Investigator: MORIYOSHI Chikako 広島大学, 理学(系)研究科(研究院), 准教授 (00325143)
• Co-Investigator(Kenkyū-buntansha): MORIWAKE Hiroki 一般財団法人ファインセラミックスセンター, ナノ構造研究所, 主席研究員 (40450853)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Keywords: 巨大正方晶歪み / 化学結合 / 放射光回折 / 第一原理計算

Outline of Final Research Achievements

Structural study on lead-titanate-type perovskite-type ferroelectrics has been performed by using high-energy synchrotron radiation X-ray powder diffraction measurements and first-principles calculation. It has been clarified that the bismuth ions enhances the tetragonal distortion of lead-titanate via the hybridization between the bismuth and oxygen ions in addition to the lead and oxygen ions. Such hybridization between the bismuth and oxygen ions is observed even in the high-temperature disordered phase in the Bi-containing solid solutions and gives rise to peculiar thermal motion of the bismuth ions in the crystal.

Free Research Field

構造物性