6 papers
A GPU-based Solver for Polarization Dynamics in Ferroelectric Materials
Ali Hasan, Edoardo Piccolo, Anna Giordano +4
Ferroelectric materials can be used for the development of multiple device concepts combining non-volatility, small dimensions, low-power actuation, and electrical tunability. Such…
Tunable electrocaloric effect in lead scandium tantalate through calcium doping
Youri Nouchokgwe, Natalya S. Fedorova, Pranab Biswas +11
State-of-the-art electrocaloric cooling prototypes rely on the conventional electrocaloric effect of ferroelectric lead scandium tantalate (PbSc0.5Ta0.5O3, PST), which peaks near r…
Chiral soft mode transition driven by strain in ferroelectric bubble domains
Urmimala Dey, Natalya S. Fedorova, Jorge Ãñiguez-González +1
Chirality in solids is attracting growing attention as a potential ferroic order, yet virtually no paradigmatic example of a soft-mode achiral-to-chiral phase transition has been f…
Extrinsic nature of the polarization in hafnia ferroelectrics
Binayak Mukherjee, Natalya S. Fedorova, Jorge Ãñiguez-González
Hafnia and related fluorites defy our understanding of ferroelectricity, even if we restrict ourselves to the intrinsic properties of ideal crystals. Here we focus on a critical pu…
Machine learning Landau free energy potentials
Mauro Pulzone, Natalya S. Fedorova, Hugo Aramberri +1
We show how to construct Landau-like free energy potentials using a machine-learning approach. For concreteness, we focus on perovskite oxide PbTiO. We work with a training s…
Towards structural softness and enhanced electromechanical responses in HfO2 ferroelectrics
Binayak Mukherjee, Natalya S. Fedorova, Jorge Ãñiguez-González
Structural softness - often characterized by unstable phonon modes and large electromechanical responses - is a hallmark of ferroelectric perovskites like BaTiO3 or Pb(Ti,Zr)O3. Wh…