Uthpala Herath

Abstract Fast thermal dephasing limits macroscopic quantum phenomena to cryogenic conditions1,2,3,4 and hinders their use at ambient temperatures5,6. For electronic excitations in condensed media, dephasing is mediated by thermal lattice motion1,7,8. Therefore, taming the lattice influence is essential for creating collective electronic quantum states at high temperatures.

Electron doping induces metal-to-insulator transition (MIT) in SmNiO3 as realized by experiments. While earlier density functional theory (DFT) studies with static correlations fell short of explaining the recent MIT observations at lower hydrogen concentrations, we present a comprehensive computational investigation employing an advanced approach. We combine DFT with dynamical mean field theory (DFT+DMFT) to efficiently analyze the insulating behavior of hydrogen-doped SmNiO3.