Two-dimensional extended Hubbard model at half-filling

TL;DR

This paper investigates the phase transitions and electronic properties of the two-dimensional extended Hubbard model at half-filling using a strong coupling diagram technique, revealing a first-order charge transition and Mott gap evolution.

Contribution

It introduces a method to sum ladder diagrams for full charge and spin fluctuations, providing new insights into phase transitions in the extended Hubbard model.

Findings

First-order charge transition at critical intersite repulsion v_c

Abrupt sign change in charge susceptibility at transition

Continuous Mott gap growth for U > 6t

Abstract

We consider the extended Hubbard model on a two-dimensional square lattice at half-filling. The model is investigated using the strong coupling diagram technique. We sum infinite series of ladder diagrams allowing for full-scale charge and spin fluctuations and the actual short-range antiferromagnetic order for nonzero temperatures. In agreement with earlier results, we find the first-order phase transition in the charge subsystem occurring at $v=v_c\gtrsim U/4$ with $v$ and $U$ the intersite and on-site Coulomb repulsion constants. The transition reveals itself in an abrupt sign change of a sharp maximum in the zero-frequency charge susceptibility at the corner of the Brillouin. States arising at the transition have alternating deviations of electron occupations from the mean value on neighboring sites. Due to fluctuations, these alternating occupation deviations have short-range order. For the considered parameters, such behavior is found for $U\lesssim5t$ with $t$ the hopping constant. For the insulating case $U\gtrsim 6t$, in which the transition is not observed, we find a continuous growth of the Mott gap with $v$. The evolution of the electron density of states with increasing $v$ is also considered.