Cubic to tetragonal phase-transition effects in BaTiO 3 from tight-binding and X? electronic structures

1 October 1981

journal article
research article
Published by Taylor & Francis in Ferroelectrics

Vol. 37 (1) , 503-506
https://doi.org/10.1080/00150198108223467

Abstract

Electronic structures and related properties of tetragonal BaTiO₃ have been compared by using two different theoretical approaches, the crystal band structure and the cluster model. The induced anisotropy from the cubic to the tetragonal phase is discussed.

Keywords

This publication has 5 references indexed in Scilit:

Phase-transition effects in BaTiO3from tight-binding energy bands
Physical Review B, 1981
Photoelectron and Optical Spectra Derived from Self-Consistent Charge MO and Band Calculations for Bulk and Surface of BaTiO3
Physica Status Solidi (b), 1980
X-ray photoelectron spectra, theoretical band structures, and densities of states for BaTi $O_{3}$ and KNb $O_{3}$
Physical Review B, 1978
Energy Bands for KNi $F_{3}$ , SrTi $O_{3}$ , KMo $O_{3}$ , and KTa $O_{3}$
Physical Review B, 1972
Polarization Fluctuations and the Optical-Absorption Edge in BaTi $O_{3}$
Physical Review B, 1970