Vincenzo Fiorentini

Conservation of dielectric constant upon amorphization in perovskite oxides

We report calculations indicating that amorphous RAO

Modeling of Alternative High-k Dielectrics for Memory Based Applications

_3

Thermoelectric coefficients of Mg

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.