2026-06-02T18:03:01Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:1807 2023-06-22T10:53:25Z openaire_data community-mcarchive

Gorni, Tommaso Baseggio, Oscar Delugas, Pietro Timrov, Iurii Baroni, Stefano Gorni, Tommaso Baseggio, Oscar Delugas, Pietro Timrov, Iurii Baroni, Stefano 2023-06-22 The nature of the gap observed at the zone border in the spin excitation spectrum of CrI₃ quasi-two-dimensional single crystals is still controversial. We perform first-principles calculations based on time-dependent density functional perturbation theory, which indicate that the observed gap results from a combination of spin-orbit and interlayer interaction effects. The former give rise to the anisotropic spin-spin interactions that are responsible for its very existence, while the latter determine both its displacement from the K point of the Brillouin zone, due to the in-plane lattice distortions induced by them, and an enhancement of its magnitude, in agreement with experiments and previous theoretical work based on a lattice model. text/markdown application/x-tar text/plain https://doi.org/10.24435/materialscloud:rb-24 oai:materialscloud.org:1807 mcid:2023.97 eng Materials Cloud https://arxiv.org/abs/2212.09516 https://doi.org/10.1103/PhysRevB.107.L220410 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:xa-mx info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode CrI3 magnons TDDFT Dirac cone Quantum ESPRESSO MARVEL First-principles study of the gap in the spin excitation spectrum of the CrI₃ honeycomb ferromagnet info:eu-repo/semantics/other