Electrostatic model of atomic ordering in complex perovskite alloys

L. Bellaiche, David Vanderbilt

Research output: Contribution to journalArticlepeer-review

98 Scopus citations

Abstract

We present a simple ionic model which successfully reproduces the various types of compositional long-range order observed in a large class of complex insulating perovskite alloys. The model assumes that the driving mechanism responsible for the ordering is simply the electrostatic interaction between the different ionic species. A possible new explanation for the anomalous long-range order observed in some Pb relaxor alloys, involving the proposed existence of a small amount of Pb+4 on the B sublattice, is suggested by an analysis of the model.

Original languageEnglish (US)
Pages (from-to)1318-1321
Number of pages4
JournalPhysical review letters
Volume81
Issue number6
DOIs
StatePublished - 1998

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy

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