Relativistic domain-wall dynamics in van der Waals antiferromagnet MnPS3

Autor: Ignacio M. Alliati, Richard F. L. Evans, Kostya S. Novoselov, Elton J. G. Santos

Publikováno v: npj Computational Materials, Vol 8, Iss 1, Pp 1-9 (2022)

Abstract The discovery of two-dimensional (2D) magnetic van der Waals (vdW) materials has flourished an endeavor for fundamental problems as well as potential applications in computing, sensing and storage technologies. Of particular interest are ant

Externí odkaz: https://doaj.org/article/31111a7778c045a7a5de2373de21f159

Floquet formulation of the dynamical Berry-phase approach to nonlinear optics in extended systems

Autor: Ignacio M Alliati, Myrta Grüning

Publikováno v: Alliati, I & Grüning, M 2023, ' Floquet formulation of the dynamical Berry-phase approach to nonlinear optics in extended systems. ', Electronic Structure, vol. 5, 017001 . https://doi.org/10.1088/2516-1075/acbc5e

We present a Floquet scheme for the ab-initio calculation of nonlinear optical properties in extended systems. This entails a reformulation of the real-time approach based on the dynamical Berry-phase polarisation (Attaccalite and Grüning 2013 Phys.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d790a7ec4b8b58cd960912a0307e2090
https://pure.qub.ac.uk/en/publications/54004d45-6c5b-459e-905c-9dd2391d216d

A first-principles modeling of glycerol and ammonia interactions on the cation-deficient VSbO4(110) surface

Autor: Ignacio M. Alliati, Beatriz Irigoyen

Publikováno v: Catalysis Today. 254:53-61

Glycerol, a major by-product of biodiesel production, is usually involved in reactions of low selectivity. Recently, it has been reported that new reaction of glycerol ammoxidation on vanadium antimonate led to very promising results in terms of conv

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7dafdd0374ac764749e09ae0234dfc08
https://doi.org/10.1016/j.cattod.2014.12.025