Delocalized polaron and Burstein-Moss shift induced by Li in $\alpha$-${\text{V}}_2{\text{O}}_5$: DFT+DMFT study

Huu T. Do, Alex Taekyung Lee, Hyowon Park +1

We performed density functional theory (DFT)+$U$ and dynamical mean field theory (DMFT) calculations with continuous time quantum Monte Carlo impurity solver to investigate the ele…