Polar nanoregions in Pb(MgNb)O (PMN): insights from a supercell approach.

Autor: Klotins, Eriks, Popov, Anatoli, Pankratov, Vladimir, Shirmane, Liana, Engers, Davis
Zdroj: Central European Journal of Physics; Apr2011, Vol. 9 Issue 2, p438-445, 8p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index