449 citations · 3.2k across the 60 of their papers we have counts for
6 papers · 1 filter
Rotational factors and Lorentz forces of molecules and solids from density-functional perturbation theory
Asier Zabalo, Cyrus E. Dreyer, Massimiliano Stengel
Applied magnetic fields can couple to atomic displacements via generalized Lorentz forces, which are commonly expressed as gyromagnetic factors. We develop an efficient first-p…
Lattice-mediated bulk flexoelectricity from first principles
Miquel Royo, Massimiliano Stengel
We present the derivation and code implementation of a first-principles methodology to calculate the lattice-mediated contributions to the bulk flexoelectric tensor. The approach i…
Tilt-driven antiferroelectricity in PbZrO
Konstantin Shapovalov, Massimiliano Stengel
Antiferroelectricity is a state of matter that has so far eluded a clear-cut definition. Even in the best-known material realization, PbZrO, the physical nature of the driving…
Curved Magnetism in CrI
Alexander Edström, Danila Amoroso, Silvia Picozzi +2
Curved magnets attract considerable interest for their unusually rich phase diagram, often encompassing exotic (e.g., topological or chiral) spin states. Micromagnetic simulations…
On the possibility that PbZrO not be antiferroelectric
Hugo Aramberri, Claudio Cazorla, Massimiliano Stengel +1
Lead zirconate (PbZrO) is considered the prototypical antiferroelectric material with an antipolar ground state. Yet, several experimental and theoretical works hint at a parti…
Nonadiabatic Born effective charges in metals and the Drude weight
Cyrus E. Dreyer, Sinisa Coh, Massimiliano Stengel
In insulators, Born effective charges describe the electrical polarization induced by the displacement of individual atomic sublattices. Such a physical property is at first sight…