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20242026
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cond-mat.mtrl-sci2026

The Frequency-Dependent Spin Contribution to the Magnetoelectric Tensor of CrO: A First-Principles Study

Torsten Geirsson, Davide Sangalli, Alberto García-Cristóbal +1

The magnetoelectric (ME) effect provides a promising pathway for controlling magnetic functionalities using electric fields. While first-principles methods for the static linear ME…

cond-mat.mtrl-sci2026

Nonequilibrium dynamics of high energy transitions in monolayer WSe

Oleg Dogadov, Jorge Cervantes-Villanueva, Nicholas Olsen +6

High-energy optical transitions in monolayer transition-metal dichalcogenides exhibit characteristics that are markedly distinct from those of lower-lying band-edge excitons. These…

cond-mat.mtrl-sci2026

Coherent Ultrafast Excitonic Oscillations in Monolayer WS

Jorge Cervantes-Villanueva, Alberto García-Cristóbal, Davide Sangalli +1

Monolayer transition metal dichalcogenides are a suitable platform for studying excitonic coherence in the light-matter coupling regime. We present an ab initio time-dependent GW-B…

cond-mat.mtrl-sci2025

Solvers for the Hermitian and the pseudo-Hermitian Bethe-Salpeter equation in the Yambo code: Implementation and Performance

Petru Milev, Blanca Mellado-Pinto, Muralidhar Nalabothula +8

We analyze the performance of two strategies in solving the structured eigenvalue problem deriving from the Bethe-Salpeter equation (BSE) in condensed matter physics. The BSE matri…

cond-mat.mtrl-sci2025

Magnon-phonon interactions from first principles

Khoa B. Le, Ali Esquembre-Kucukalic, Hsiao-Yi Chen +6

Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrat…

cond-mat.mtrl-sci2025

Magnons in chromium trihalides from \emph{ab initio} Bethe-Salpeter equation

Ali Esquembre-Kučukalić, Khoa B. Le, Alberto García-Cristóbal +3

Chromium trihalides (CrX, with ) are layered ferromagnetic materials with rich physics and possible applications. Their structure consists of magnetic Cr atoms…