Electrostatic Model of Atomic Ordering in Complex Perovskite Alloys

L. Bellaiche and David Vanderbilt
Phys. Rev. Lett. 81, 1318 – Published 10 August 1998
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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.

  • Received 15 April 1998

DOI:https://doi.org/10.1103/PhysRevLett.81.1318

©1998 American Physical Society

Authors & Affiliations

L. Bellaiche and David Vanderbilt

  • Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855-0849

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Vol. 81, Iss. 6 — 10 August 1998

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