8 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…
Chiral soft mode transition driven by strain in ferroelectric bubble domains
Urmimala Dey, Natalya S. Fedorova, Jorge Íñiguez-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…
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…
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…
Towards structural softness and enhanced electromechanical responses in HfO2 ferroelectrics
Binayak Mukherjee, Natalya S. Fedorova, Jorge Íñiguez-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…
Elastic amplification from negative capacitance
Mónica Graf, Natalya S. Fedorova, Hugo Aramberri +1
Ferroelectrics under suitable electric boundary conditions can present a negative capacitance response, whereby the total voltage drop across the ferroelectric opposes the external…
Engineering the Magnetic Transition Temperatures and the Rare Earth Exchange Interaction in Oxide Heterostructures
Jonathan Spring, Natalya Fedorova, Alexandru B. Georgescu +7
The properties of functional oxide heterostructures are strongly influenced by the physics governing their interfaces. Modern deposition techniques allow us to accurately engineer…
First-principles predictions of HfO-based ferroelectric superlattices
Binayak Mukherjee, Natalya S. Fedorova, Jorge Íñiguez-González
The metastable nature of the ferroelectric phase of HfO is a significant impediment to its industrial application as a functional ferroelectric material. In fact, no polar phas…