Work

Polarization properties and crystal structures of ferroelectric ( Ba , Ca ) TiO 3 single crystals

Year: 2014

Type: article

Abstract: We have investigated the spontaneous polarization (P s ) of Ba 1-x Ca x TiO 3 (BCT) by polarization hysteresis measurements using single crystals and by density functional theory (DFT) calculations. Single crystals of BCT (x = 0.07) were grown by a top-seeded solution growth (TSSG) method. The polarization measurements show that the crystals (x = 0.07) have a P s of 26.0 μC/cm2, which is slightly small compared with BaTiO 3 (27.3 μC/cm2). Our DFT calculations based on a supercell approach show that Ca atoms are markedly displaced cooperatively with the adjacent Ti atoms along the P s direction. It is suggested that the CaTiO 3-like octahedral rotation is constructed in the BCT supercell around the Ca atoms, which is the origin of the smaller P s observed for the BCT crystals.

Source: Journal of Advanced Dielectrics

DOI: 10.1142/s2010135x14500039

Authors: Ryota Imura, Yuuki Kitanaka, Takeshi Oguchi, Yuji Noguchi, Masaru Miyayama

Institutions: Research Center for Advanced Science and Technology, The University of Tokyo, The University of Tokyo

Language: English

Topic: Ferroelectric and Piezoelectric Materials

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: diamond

OpenAlex ID: W2019636628

FWCI: 0.404

Cites: 17

Cited by: 10

Related to: 10