Polar nanoregions in Pb(Mg1/3Nb2/3)O3 (PMN): Insights from a supercell approach

Eriks Klotins; Anatoli I. Popov; Vladimir Pankratov; Liana Shirmane; Davis Engers

doi:10.2478/s11534-010-0144-3

Polar nanoregions in Pb(Mg_1/3Nb_2/3)O₃ (PMN): Insights from a supercell approach

Eriks Klotins^*
, Anatoli I. Popov
, Vladimir Pankratov
, Liana Shirmane
, Davis Engers

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	438-445
Number of pages	8
Journal	Central European Journal of Physics
Volume	9
Issue number	2
DOIs	https://doi.org/10.2478/s11534-010-0144-3
Publication status	Published - Apr 2011

Keywords

Ferroelectrics
Relaxor
Supercells

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10.2478/s11534-010-0144-3

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title = "Polar nanoregions in Pb(Mg1/3Nb2/3)O3 (PMN): Insights from a supercell approach",

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.",

keywords = "Ferroelectrics, Relaxor, Supercells",

author = "Eriks Klotins and Popov, \{Anatoli I.\} and Vladimir Pankratov and Liana Shirmane and Davis Engers",

year = "2011",

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doi = "10.2478/s11534-010-0144-3",

language = "English",

volume = "9",

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T1 - Polar nanoregions in Pb(Mg1/3Nb2/3)O3 (PMN)

T2 - Insights from a supercell approach

AU - Klotins, Eriks

AU - Popov, Anatoli I.

AU - Pankratov, Vladimir

AU - Shirmane, Liana

AU - Engers, Davis

PY - 2011/4

Y1 - 2011/4

N2 - 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.

AB - 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.

KW - Ferroelectrics

KW - Relaxor

KW - Supercells

UR - https://www.scopus.com/pages/publications/79951949075

U2 - 10.2478/s11534-010-0144-3

DO - 10.2478/s11534-010-0144-3

M3 - Article

AN - SCOPUS:79951949075

SN - 1895-1082

VL - 9

SP - 438

EP - 445

JO - Central European Journal of Physics

JF - Central European Journal of Physics

IS - 2

ER -

Polar nanoregions in Pb(Mg_1/3Nb_2/3)O₃ (PMN): Insights from a supercell approach

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