Novel Phase Between Band and Mott Insulators in Two Dimensions

Details Novel Phase Between Band and Mott Insulators in Two Dimensions Novel Phase Between Band and Mott Insulators in Two Dimensions

2006-07-21

arxiv.org/abs/cond-mat/0607568v2

Phys. Rev. Lett. 98, 016402 (2007)

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

We investigate the ground state phase diagram of the half-filled repulsive Hubbard model in two dimensions in the presence of a staggered potential $\Delta$, the so-called ionic Hubbard model, using cluster dynamical mean field theory. We find that for large Coulomb repulsion, $U\gg \Delta$, the system is a Mott insulator (MI). For weak to intermediate values of $\Delta$, on decreasing $U$, the Mott gap closes at a critical value $U_{c1}(\Delta)$ beyond which a correlated insulating phase with possible bond order (BO) is found. Further, this phase undergoes a first-order transition to a band insulator (BI) at $U_{c2}(\Delta)$ with a finite charge gap at the transition. For large $\Delta$, there is a direct first-order transition from a MI to a BI with a single metallic point at the phase boundary.

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