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arxiv: 0803.0478 · v1 · submitted 2008-03-04 · ❄️ cond-mat.mtrl-sci

Conservation of dielectric constant upon amorphization in perovskite oxides

classification ❄️ cond-mat.mtrl-sci
keywords dielectricamorphousconstantcrystaloxidesperovskiteresponseamorphization
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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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