Electronic structure of barium titanate studies by the extended Hückel tight-binding method

M. Holma*, M. Kitamura, H. D. Chen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The electronic structure of barium titanate is determined according to the extended Hückel tight-binding method using atomic data based on a self-consistent-field calculation. The effects of the phase transition on the partial density of states are studied. The electronic contribution to the phase stability of the compound is calculated from the total density of states. The tetragonal phase is found to be stable as compared to the cubic phase. The density of states is compared with available x-ray photoemission spectra and is found to be in agreement with some features in experimental results.

Original languageEnglish
Pages (from-to)451-454
Number of pages4
JournalJournal of Applied Physics
Volume76
Issue number1
DOIs
StatePublished - 1 Dec 1994

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