Anna V. Kimmel
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View article: Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(Zr<i>x</i>Ti1–<i>x</i>)O3
Giant electrocaloric effect at the antiferroelectric-to-ferroelectric phase boundary in Pb(Zr<i>x</i>Ti1–<i>x</i>)O3 Open
Molecular dynamics simulations predict a giant electrocaloric effect at the ferroelectric-antiferroelectric phase boundary in PZT (PbTiO3-PbZrO3). These large-scale simulations also give insights into the atomistic mechanisms of the electr…
View article: Improving the Functional Control of Aged Ferroelectrics Using Insights from Atomistic Modeling
Improving the Functional Control of Aged Ferroelectrics Using Insights from Atomistic Modeling Open
We provide a fundamental insight into the microscopic mechanisms of the aging processes. Using large-scale molecular dynamics simulations of the prototypical ferroelectric material
\nPbTiO
\n3
\n, we demonstrate that the experimentally ob…
View article: Low temperature ferroelectric behavior in morphotropic Pb (Zr <sub> 1− <i>x</i> </sub> Ti <sub> <i>x</i> </sub> )O <sub>3</sub>
Low temperature ferroelectric behavior in morphotropic Pb (Zr <sub> 1− <i>x</i> </sub> Ti <sub> <i>x</i> </sub> )O <sub>3</sub> Open
We provide an insight into the switching of near‐morphotropic composition of PZT , using molecular dynamics simulations and electrical measurements. The simulations and experiments exhibit qualitatively similar hysteretic behavior of the p…
View article: Modelling the structure of Zr-rich Pb(Zr1-xTix)O3, x = 0.4 by a multiphase approach.
Modelling the structure of Zr-rich Pb(Zr1-xTix)O3, x = 0.4 by a multiphase approach. Open
Solid solution perovskite Pb(Zr1-xTix)O3 (PZT) is an industrially important material. Despite the long history of experimental and theoretical studies, the structure of this material is still under intensive discussion. In this work, we ha…