Theory of Momentum-Resolved Electron Energy-Loss Spectra of Coupled Phonon and Magnon Excitations

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Main Authors: Castellanos-Reyes, José Ángel, Miranda, Ivan P., Zeiger, Paul M., Bergman, Anders, Rusz, Ján
Format: Preprint
Published: 2025
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author Castellanos-Reyes, José Ángel
Miranda, Ivan P.
Zeiger, Paul M.
Bergman, Anders
Rusz, Ján
author_facet Castellanos-Reyes, José Ángel
Miranda, Ivan P.
Zeiger, Paul M.
Bergman, Anders
Rusz, Ján
contents We develop a theory of momentum-resolved electron energy-loss spectra in the scanning transmission microscope (STEM-EELS) that captures the effects of coupled phonon and magnon excitations within a unified formalism, and apply it to body-centered cubic iron at 300 K. By advancing the Time Autocorrelation of Auxiliary Wavefunctions (TACAW) method to incorporate atomistic spin-lattice dynamics (ASLD), we simulate the EELS signal, including phonon-magnon interaction effects, dynamical diffraction, and multiple scattering. Our results reveal non-additive spectral features arising from phonon-magnon coupling, hybridization, and energy shifts, and further allow estimation of the electron dose required to detect magnon scattering under optimized detector conditions.
format Preprint
id arxiv_https___arxiv_org_abs_2508_07073
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Theory of Momentum-Resolved Electron Energy-Loss Spectra of Coupled Phonon and Magnon Excitations
Castellanos-Reyes, José Ángel
Miranda, Ivan P.
Zeiger, Paul M.
Bergman, Anders
Rusz, Ján
Materials Science
We develop a theory of momentum-resolved electron energy-loss spectra in the scanning transmission microscope (STEM-EELS) that captures the effects of coupled phonon and magnon excitations within a unified formalism, and apply it to body-centered cubic iron at 300 K. By advancing the Time Autocorrelation of Auxiliary Wavefunctions (TACAW) method to incorporate atomistic spin-lattice dynamics (ASLD), we simulate the EELS signal, including phonon-magnon interaction effects, dynamical diffraction, and multiple scattering. Our results reveal non-additive spectral features arising from phonon-magnon coupling, hybridization, and energy shifts, and further allow estimation of the electron dose required to detect magnon scattering under optimized detector conditions.
title Theory of Momentum-Resolved Electron Energy-Loss Spectra of Coupled Phonon and Magnon Excitations
topic Materials Science
url https://arxiv.org/abs/2508.07073