Role of the coulomb interaction on the ferroelectric instability of barium titanate

Ph Ghosez, X. Gonze, J. P. Michenaud

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Born effective charges and dielectric tensor of barium titanate are obtained from first-principles calculations. The nature of large effective charges and their influence on the structural instability responsible of the ferroelectric phase transitions are discussed.

Original languageEnglish
Pages (from-to)73-76
Number of pages4
JournalFerroelectrics
Volume186
Issue number1-4
DOIs
Publication statusPublished - 1996
Externally publishedYes

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