Metal-Insulator Transition and Topological Properties of Pyrochlore Iridates
Metal-Insulator Transition and Topological Properties of Pyrochlore Iridates
Combining density functional theory (DFT) and embedded dynamical mean-field theory (DMFT) methods, we study the metal-insulator transition in R_{2}Ir_{2}O_{7} (R=Y, Eu, Sm, Nd, Pr, and Bi) and the topological nature of the insulating compounds. Accurate free energies evaluated using the charge self-consistent DFT+DMFT method reveal that the metal-insulator transition occurs …