Magnetic transition in a correlated band insulator

TL;DR

This paper investigates how on-site electron-electron interactions influence the magnetic and insulating phases in a bilayer Hubbard model, revealing a crossover to a Mott insulator without an intermediate metallic phase.

Contribution

It provides a detailed phase diagram of a bilayer Hubbard model, showing the effects of interlayer correlations on the transition from band to Mott insulators.

Findings

No metallic phase between Mott and band insulators.

Local moments and spectra indicate a crossover to Mott insulator.

Single particle gap increases with interaction U.

Abstract

The effect of on-site electron-electron repulsion $U$ in a band insulator is explored for a bilayer Hubbard Hamiltonian with opposite sign hopping in the two sheets. The ground state phase diagram is determined at half-filling in the plane of $U$ and the interplanar hybridization $V$ through a computation of the antiferromagnetic (AF) structure factor, local moments, single particle and spin wave spectra, and spin correlations. Unlike the case of the ionic Hubbard model, no evidence is found for a metallic phase intervening between the Mott and band insulators. Instead, upon increase of $U$ at large $V$, the behavior of the local moments and of single-particle spectra give quantitative evidence of a crossover to a Mott insulator state preceding the onset of magnetic order. Our conclusions generalize those of single-site dynamical mean field theory, and show that including interlayer correlations results in an increase of the single particle gap with $U$.