Electronic Correlation Effects on the Fermi Surface Topology of d-Plutonium

Due to its position at the boundary between the light and heavy actinides, Pu has exotic physical properties that are complex and challenging to model. The difficulties in obtaining a full theoretical understanding for this elemental solid stem from the transitional characteristics of Pu-5f orbital electrons and understanding the role of the fluctuating magnetism in the electronic structure. Focusing on the δ-phase of elemental Pu, we perform a careful comparison of Fermi surface topology calculations using DFT and DFT+U methods. The de Haas-van Alphen (dHvA) frequencies at the Fermi surface and band masses are calculated in both magnetic and nonmagnetic states. We also analyze the effective mass enhancement due to 5f-electron correlation effects with DMFT as compared to the Gutzwiller approximation (GA). The comparison study will be helpful for future experiments to validate theoretical modeling.