Temperature dependent magneto-optical conductivity of ferromagnetic Fe

The optical properties of magnetic materials in external magnetic fields have been widely studied, yet their temperature dependence remains less thoroughly explored from a theoretical standpoint. Here we investigate the temperature-dependent magneto-optical conductivity of ferromagnetic Fe. To account for thermal effects on the optical response, we incorporate both lattice and magnetic disorders with a supercell approach. Magnetic fluctuations due to finite temperature are modeled via classical atomistic spin dynamics simulations with magnetic exchange coefficients obtained from density functional theory. To capture magnon–phonon coupling effects, magnetic exchange parameters are further refined using configurations from thermally disordered lattices. In this study, we ultimately aim to calculate temperature-dependent optical conductivity of Fe under different strengths of external magnetic fields, explicitly resolving the individual and combined influences of phonons and magnons on the magneto-optical conductivity.