Eur. Phys. J. B 65, 39-47 (2008)
https://doi.org/10.1140/epjb/e2008-00327-2

Structural ordering and antisite defect formation in double perovskites

Harish-Chandra Research Institute, Chhatnag Road, Jhusi, Allahabad 211 019, India

Corresponding author: ^a pinaki@mri.ernet.in

Received: 2 June 2008
Revised: 15 July 2008
Published online: 20 August 2008

Abstract

We formulate an effective model for B-B' site ordering in double perovskite materials A₂BB'O₆. Even within the simple framework of lattice-gas type models, we are able to address several experimentally observed issues including nonmonotonic dependence of the degree of order on annealing temperature, and the rapid decrease of order upon overdoping with either B or B' species. We also study ordering in the “ternary” compounds A₂BB'B”_yO₆. Although our emphasis is on the double perovskites, our results are easily generalizable to a wide variety of binary and ternary alloys.