Professor Sergey Savrasov
University of California at Davis

Recent Advances in Studying Actinides and Heavy Fermion Systems using LDA+DMFT

Abstract:

Our recent work on understanding the role of electronic correlations in various actinide materials will be discussed. Their calculated properties such as electronic spectra, phonons, thermal conductivity using a combination of density functional electronic structure and many body dynamical mean field based approaches will be presented and compared with available experimental data. Questions of theoretical predictions for magnetic ordering, heavy fermion behavior, and proximity to quantum criticality in some heavy fermion Ce and Pu based compounds will also be addressed by simulating their low energy Kondo lattice Hamiltonians derived from first principles and solved using Continuous Time Quantum Monte Carlo method.