output
19922026
most citedThe SIESTA method for ab initio order-N materials simulation

12k citations

Showing 2022 · cond-mat.mtrl-sciShow all

11 papers · 2 filters

cond-mat.mtrl-sci2022★ 19 cited

Unravelling the role of Sm 4f electrons in the magnetism of SmFeO

Danila Amoroso, Bertrand Dupe, Matthieu J. Verstraete

Magnetic rare-earth orthoferrites FeO host a variety of functional properties from multiferroicity and strong magnetostriction, to spin-reorientation transitions and ultrafa…

cond-mat.mtrl-sci2022★ 10 cited

Spin-current driven Dzyaloshinskii-Moriya interaction in the multiferroic BiFeO3 from first-principles

Sebastian Meyer, Bin Xu, Matthieu Verstraete +2

The electrical control of magnons opens up new ways to transport and process information for logic devices. In magnetoelectrical multiferroics, the Dzyaloshinskii-Moriya (DM) inter…

cond-mat.mtrl-sci2022★ 83 cited

Polar meron-antimeron networks in strained and twisted bilayers

Daniel Bennett, Gaurav Chaudhary, Robert-Jan Slager +2

Out-of-plane polar domain structures have recently been discovered in strained and twisted bilayers of inversion symmetry broken systems such as hexagonal boron nitride. Here we sh…

cond-mat.mtrl-sci2022★ 13 cited

The impact of valley profile on the mobility and Kerr rotation of transition metal dichalcogenides

Thibault Sohier, Pedro M. M. C. de Melo, Zeila Zanolli +1

The transport and optical properties of semiconducting transition metal dichalcogenides around room temperature are dictated by electron-phonon scattering mechanisms within a compl…

cond-mat.mtrl-sci2022

Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces

Daniel Bennett, Pablo Aguado-Puente, Emilio Artacho +1

The phenomenological theory for the polar instability giving rise to a two-dimensional electron gas at perovskite interfaces is hereby extended to include the coupling to perovskit…

cond-mat.mtrl-sci2022★ 6 cited

Generalized relation between electromechanical responses at fixed voltage and fixed electric field

Daniel Bennett, Daniel Tanner, Philippe Ghosez +2

We present a general relation between the electromechanical couplings of infinitesimal strain and electric field to arbitrary order, measured at fixed voltage and at fixed electric…