53 citations · 83 across the 4 of their papers we have counts for
4 papers
A re-examination of antiferroelectric PbZrO and PbHfO: an 80-atom structure
J. S. Baker, M. Paściak, J. K. Shenton +8
First principles density functional theory (DFT) simulations of antiferroelectric (AFE) PbZrO and PbHfO reveal a dynamical instability in the phonon spectra of their purpor…
BaTiO3 thin films as transitional ferrroelectrics with giant dielectric response
A. S. Everhardt, T. Denneulin, A. Gruenebohm +9
Proximity to phase transitions (PTs) is frequently responsible for the largest dielectric susceptibilities in ferroelectrics. The impracticality of using temperature as a control p…
First-principles based Landau-Devonshire potential for BiFeO
Pavel Marton, Antonín Klíč, Marek Paściak +1
The work describes a first-principles-based computational strategy for studying structural phase transitions, and in particular, for determination of the so-called Landau-Devonshir…
Emergence of central mode in the paraelectric phase of ferroelectric perovskites
J. Weerasinghe, L. Bellaiche, T. Ostapchuk +5
THz-range dielectric spectroscopy and first-principle-based effective-Hamiltonian molecular dynamics simulations were employed to elucidate the dielectric response in the paraelect…