Calculations of Electronic and Magnetic Properties: - Thárcio Cerqueira - Bog

In this work a study based on the density functional theory of the electronic and magnetic properties of the hexagonal multiferroic manganite HoMnO3 was carried out. Calculations were performed with and without the inclusion of spin-orbit interaction using the full potential linearized augmented plane wave method. Electronic exchange and correlation effects were approximated via the generalized gradient approximation (GGA) and the "+U" (or GGA+U) method.