1 citations · 2 across the 5 of their papers we have counts for
5 papers
Minimalist machine-learned interatomic potentials can predict complex structural behaviors accurately
Iñigo Robredo-Magro, Binayak Mukherjee, Hugo Aramberri +1
The past decade has witnessed a spectacular development of machine-learned interatomic potentials (MLIPs), to the extent that they are already the approach of choice for most atomi…
Guidelines for the optimization of hafnia-based ferroelectrics through superlattice engineering
Johanna van Gent, Binayak Mukherjee, Ewout van der Veer +5
Hafnia-based ferroelectrics are revolutionizing the data storage industry and the field of ferroelectrics, with improved materials and devices being reported monthly. However, full…
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…
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…