Doped Mott insulator as the origin of heavy-fermion behavior in LiV2O4.

We investigate the electronic structure of LiV2O4, for which heavy-fermion behavior has been observed in various experiments, by the combination of the local density approximation and dynamical mean field theory. To obtain results at zero temperature, we employ the projective quantum Monte Carlo method as an impurity solver. Our results show that the strongly correlated a 1g band is a lightly doped Mott insulator which, at low temperatures, shows a sharp (heavy) quasiparticle peak just above the Fermi level, which is consistent with recent photoemission experiments by Shimoyamada et al. [Phys. Rev. Lett. 96, 026403 (2006)10.1103/PhysRevLett.96.026403].