Theory of carrier concentration-dependent electronic behavior in layered cobaltates

Abstract

A natural explanation for the carrier concentration-dependent electronic behavior in the layered cobaltates emerges within correlated-electron Hamiltonians with finite on-site and significant nearest neighbor hole-hole Coulomb repulsions. The nearest neighbor repulsion decreases hole double-occupancy below hole density 1/3, but increases the same at higher hole densities. Our conclusion is valid for both single-band and three-band extended Hubbard Hamiltonians, and sheds light on concentration-dependent $e_g^\prime$ hole occupancy within the latter.