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In recent years, the fundamental physics of spin-thermal (i.e.,magnon-phonon) interaction has attracted significant experimental andtheoretical interests given its potential paradigm-shifting impacts in areaslike spin-thermoelectrics, spin-caloritronics and spintronics. Modellingstudies of the transport of magnons and phonons in magnetic crystals are veryrare. In this paper, we use spin-lattice dynamics (SLD) simulations to modelferromagnetic crystalline iron, where the spin and lattice systems are coupledthrough the atomic position-dependent exchange function, and thus theinteraction between magnon and phonon is naturally considered. We then presenta method combining SLD simulations with spectral energy analysis to calculatethe magnon and phonon harmonic (e.g., dispersion, specific heat, groupvelocity) and anharmonic (e.g., scattering rate) properties, based on whichtheir thermal conductivity values are calculated. This work represents anexample of using SLD simulations to understand the transport propertiesinvolving coupled magnon and phonon dynamics.

Magnon and Phonon Dispersion, Lifetime and Thermal Conductivity of Iron from Spin-Lattice Dynamics Simulations