Grainger College of Engineering, All Events

Here we investigate the temperature-dependent magneto 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 spin-lattice coupling effects, magnetic exchange parameters are further refined using configurations from thermally disordered lattices. In this study, we ultimately aim to calculate temperature-dependent conductivity of Fe under different strengths of external magnetic fields, explicitly resolving the individual and combined influences of spin and lattice disorder on the magneto conductivity.