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Simple Empirical Cluster Expansion Hamiltonians for Modeling Cation Order-Disorder in A(B'^d1/3B2/3)O3 Perovskites Such as Pb(Mg1/3Nb2/3)O3

Published

Author(s)

Benjamin P. Burton

Abstract

Brute force exploration of the simple cubic effective cluster interaction space indicates that linear triplet interaction is both necessary and sufficient to stablizde a P3ml ground state, and a P3ml Fm - 3m transition at 4.5183
Citation
Physical Review B (Condensed Matter and Materials Physics)
Volume
59

Keywords

cation ordering, Ising Model, Monte Carlo, order-disorder, Pb(Mg1/3Nb2/3)O3, Perovskite, PMN

Citation

Burton, B. (1999), Simple Empirical Cluster Expansion Hamiltonians for Modeling Cation Order-Disorder in A(B'^d1/3B2/3)O3 Perovskites Such as Pb(Mg1/3Nb2/3)O3, Physical Review B (Condensed Matter and Materials Physics) (Accessed May 23, 2024)

Issues

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Created January 15, 1999, Updated February 19, 2017