Strong effects of thermally induced low-spin to high-spin crossover on transport properties of correlated metals

Abstract

We use dynamical mean-field theory to study how electronic transport in multiorbital metals is influenced by correlated (nominally) empty orbitals that are in proximity to the Fermi level. Specifically, we study 2+1 orbital and 3+2 orbital (i.e., t2g+eg) models on a Bethe lattice with a crystal field that is set so that the higher lying orbitals are nearly empty at low temperatures but get a non-negligible occupancy at elevated temperature. The high temperature regime is characterized by thermal activation of carriers leading to higher magnetic response (i.e., thermally induced low-spin to high-spin transition) and substantial influence on resistivity, where one can distinguish two counteracting effects: increased scattering due to formation of high spin and increased scattering phase space on one hand and additional parallel conduction channel on the other. The former effect is stronger and one may identify cases where resistivity increases by a factor of 3 at high temperatures even though the occupancy of the unoccupied band remains small (<10%). We discuss implications of our findings for transport properties of correlated materials. Published by the American Physical Society 2025