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First-principles study of the gap in the spin excitation spectrum of the CrI honeycomb ferromagnet
Tommaso Gorni, Oscar Baseggio, Pietro Delugas +2
The nature of the gap observed at the zone border in the spin-excitation spectrum of CrI quasi-2D single crystals is still controversial. We perform first-principles calculatio…
Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI two-dimensional magnets
Pietro Delugas, Oscar Baseggio, Iurii Timrov +2
Recent neutron-diffraction experiments in honeycomb CrI quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence o…
Spin dynamics from time-dependent density functional perturbation theory
Tommaso Gorni, Iurii Timrov, Stefano Baroni
We present a new method to model spin-wave excitations in magnetic solids, based on the Liouville-Lanczos approach to time-dependent density functional perturbation theory. This me…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…