Conservation of dielectric constant upon amorphization in perovskite oxides

Details Conservation of dielectric constant upon amorphization in perovskite oxides Conservation of dielectric constant upon amorphization in perovskite oxides

2008-03-04

arxiv.org/abs/0803.0478v1

PHYSICAL REVIEW B 76, 104112 (2007)

Physics

Condensed Matter

Materials Science

5 pages, 3 figures

Scientific paper

10.1103/PhysRevB.76.104112

We report calculations indicating that amorphous RAO$_3$ oxides, with R and A trivalent cations, have approximately the same static dielectric constant as their perovskite crystal phase. The effect is due to the disorder-activated polar response of non-polar crystal modes at low frequency, which compensates a moderate but appreciable reduction of the ionic dynamical charges. The dielectric response was studied via density-functional perturbation theory. Amorphous samples were generated by molecular dynamics melt-and-quench simulations.

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