60 citations · 118 across the 7 of their papers we have counts for
8 papers
Accessible Chemical Space for Metal Nitride Perovskites
Bastien F. Grosso, Daniel W. Davies, Bonan Zhu +2
Building on the extensive exploration of metal oxide and metal halide perovskites, metal nitride perovskites represent a largely unexplored class of materials. We report a multi-ti…
Physics-guided descriptors for prediction of structural polymorphs
Bastien F. Grosso, Nicola A. Spaldin, Aria Mansouri Tehrani
We develop a method combining machine learning (ML) and density functional theory (DFT) to predict low-energy polymorphs by introducing physics-guided descriptors based on structur…
Accelerated search for new ferroelectric materials
Ramon Frey, Bastien F. Grosso, Pascal Fandré +3
We report the development of a combined machine-learning and high-throughput density functional theory (DFT) framework to accelerate the search for new ferroelectric materials. The…
Nonvolatile Electric-Field Control of Inversion Symmetry
Lucas Caretta, Yu-Tsun Shao, Jia Yu +20
In condensed-matter systems, competition between ground states at phase boundaries can lead to significant changes in material properties under external stimuli, particularly when…
Prediction of new low-energy phases of BiFeO with large unit cell and complex tilts beyond Glazer notation
Bastien F. Grosso, Nicola A. Spaldin
Bismuth ferrite is one of the most widely studied multiferroic materials because of its large ferroelectric polarisation coexisting with magnetic order at room temperature. Using d…
Combined electrostatic and strain engineering of BiFeO thin films at the morphotropic phase boundary
Johanna Nordlander, Bastien F. Grosso, Marta D. Rossell +5
Multiferroic BiFeO (BFO) possesses a rich phase diagram that allows strain tuning of its properties in thin-film form. In particular, at large compressive strain, a supertetrag…
A high-energy density antiferroelectric made by interfacial electrostatic engineering
Julia A. Mundy, Colin A. Heikes, Bastien F. Grosso +11
Dielectric capacitors hold a tremendous advantage for energy storage due to their fast charge/discharge times and stability in comparison to batteries and supercapacitors. A key li…
Bending Rules for Nano-Kirigami
Bastien F. Grosso, E. J. Mele
We combine large-scale atomistic modelling with continuum elastic theory to study the shapes of graphene sheets embedding nanoscale kirigami. Lattice segments are selectively remov…