Burton, B.
and Cockayne, E.
(2002),
Unexpected Ground State Structures in Relaxor Ferroelectrics, Ferroelectrics (Accessed May 17, 2026)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Unexpected Ground State Structures in Relaxor Ferroelectrics
Published
Author(s)
,
Abstract
Cluster expansion Hamiltonians derived from pseudopotential total energies were used to predict ground-state (GS) cation configurations for some A(B^{3+}1⁄2B'^{5+}1⁄2)O3, A(B^{2+}{1/3}B'^{5+}{2/3})O3 , and [A^{1+}1⁄2A'^{3+}1⁄2]BO3 perovskites. Predicted GS structures for Pb(Mg1/3 Nb2/3)O3 (PMN), Pb(Mg1/3Ta2/3)O3, [Na1/2Bi1/2 ]TiO3 , and [K1/2 Bi1/2]TiO3 differ from those predicted by a purely ionic model. Monte Carlo simulation of cation order-disorder phenomena in PMN predicts the transition sequence: [001]NCC' 1:1 Disordered.Citation
Ferroelectrics
Volume
270
Pub Type
Journals
Keywords
cation ordering, ground states, perovskites, relaxor ferroelectrics
Citation
Issues
If you have any questions about this publication or are having problems accessing it, please contact [email protected].
Created January 1, 2002, Updated February 19, 2017