6533b7d0fe1ef96bd125ba42
RESEARCH PRODUCT
Polar nanoregions in Pb(Mg1/3Nb2/3)O3 (PMN): insights from a supercell approach
Anatoli I. PopovDavis EngersVladimir PankratovL. ShirmaneE. Klotinssubject
Lattice dynamicsPhysicsField coolingCondensed matter physicsPhysicsQC1-999ferroelectricsGeneral Physics and AstronomySupercellPolarization (waves)Condensed Matter::Materials SciencePolarResidual polarizationrelaxorsupercellsAnisotropyRelaxor ferroelectricdescription
Abstract We report construction of a model of polar nanoregions in the PMN relaxor ferroelectric based on first-principles lattice dynamics for chemically ordered supercells [S.A. Prosandeev et al., Phys. Rev. B 70, 134110 (2004)], combined with invariance under permutations and dipole-dipole interaction as a source supporting randomly oriented residual polarization. Representative analytical estimates of polar nanore-gion — supercell mapping reproduce both nonzero local and zero macroscopic polarization of the structure, as well as the temperature change of the supercell anisotropy at cooling and field cooling.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-04-01 | Open Physics |