Electron Energy Loss Spectra Simulations of Coupled Phonon and Magnon Excitations

Abstract: We simulate momentum-resolved electron energy loss spectra (EELS) in body-centered cubic iron at 300 K, capturing the effects of coupled phonon and magnon excitations within a unified dynamical formalism. By extending the Time Autocorrelation of Auxiliary Wavefunctions (TACAW) method to incorporate atomistic spin-lattice dynamics (ASLD), we simulate the full EELS signal - including interaction effects, dynamical diffraction, and multiple scattering. Our results reveal non-additive spectral features arising from phonon-magnon coupling, including interference and energy redistribution effects, and predict experimental detectability of magnon signals under optimized detector conditions. This framework advances quantitative magnon spectroscopy in STEM, establishing a direct link between dynamical theory and low-energy experimental EELS signatures.