DFT+Σ2 method for electron correlation effects at transition metal surfaces

Density functional theory is the most popular method to study ferromagnetic transition metals. However, it is often insufficient for describing correlation effects in magnetic thin-film heterostructures. This work presents a computational approach that combines Density Functional Theory and Dynamical Mean Field Theory for transition metal thin films, using a multiorbital perturbative solver for the many-body problem. Calculations accurately describe the 3$d$-state spin splitting at low computational cost, thus enabling the investigation of correlation effects at spintronic interfaces.