Gregory Czap, Kyungju Noh, et al.
APS Global Physics Summit 2025
The dynamical mean-field method is used to analyze the magnetic transition temperature and optical conductivity of a model for the ferrimagnetic double perovskites such as Sr2FeMoO6. The calculated transition temperatures and optical conductivities are found to depend sensitively on the band structure. For parameters consistent with local spin-density approximation band calculations, the computed transition temperatures are lower than observed, and in particular decrease dramatically as band filling is increased, in contradiction to experiment. Band parameters which would increase the transition temperature are identified.