Correlations between nanoscale chemical and polar order in relaxor ferroelectrics and the lengthscale for polar nanoregions

被引:138
作者
Burton, BP [1 ]
Cockayne, E
Waghmare, UV
机构
[1] NIST, Div Ceram, Mat Sci & Engn Lab, Gaithersburg, MD 20899 USA
[2] JNCASR, J Nehru Theoret Sci Unit, Bangalore 560064, Karnataka, India
来源
PHYSICAL REVIEW B | 2005年 / 72卷 / 06期
关键词
D O I
10.1103/PhysRevB.72.064113
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Molecular-dynamics simulations of a first-principles Hamiltonian for the model relaxor ferroelectric Pb(Sc1/2Nb1/2)O-3 were used to determine the nature of correlations between chemical and polar short-range order. Relative to chemically disordered regions (CDRs), chemically ordered regions (CORs) exhibit enhanced polarization, and polarization fluctuations at all temperatures. Magnitudes of pairwise cluster-cluster polarization correlations follow the trend COR-COR, COR-CDR, CDR-CDR correlations. This result implies that the characteristic lengthscale for polar nanoregions is the same as for chemical short-range order.
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页数:5
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