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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
Pub Type
Journals
Keywords
cation ordering, Ising Model, Monte Carlo, order-disorder, Pb(Mg1/3Nb2/3)O3, Perovskite, PMN
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 October 10, 2025)