Electrostatic model of atomic ordering in complex perovskite alloys

TL;DR

This paper introduces a straightforward ionic electrostatic model that explains diverse long-range order phenomena in complex perovskite alloys, offering new insights into anomalous ordering in Pb relaxor alloys.

Contribution

The paper presents a simple electrostatic ionic model that accurately reproduces observed ordering patterns in complex perovskite alloys and proposes a novel explanation for anomalous order in Pb relaxors.

Findings

Model reproduces various observed ordering patterns

Electrostatic interactions drive atomic ordering

Proposes Pb^4+ ions influence relaxor behavior

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.