Filling dependence of the Mott transition in the degenerate Hubbard model

Abstract

Describing the doped Fullerenes using a generalized Hubbard model, we study the Mott transition for different integer fillings of the ${t}_{1u}$ band. We use the opening of the energy-gap ${E}_{g}$ as a criterion for the transition. ${E}_{g}$ is calculated as a function of the on-site Coulomb interaction U using fixed-node diffusion Monte Carlo. We find that for systems with doping away from half filling the Mott transitions occurs at smaller U than for the half-filled system. We give a simple model for the doping dependence of the Mott transition.