Thermodynamics of the two-dimensional Falicov-Kimball model: a classical Monte Carlo study

TL;DR

This study uses Monte Carlo simulations to analyze the thermodynamic properties and phase diagram of the two-dimensional Falicov-Kimball model, revealing phase transitions, correlation behaviors, and the effects of next-nearest-neighbor hopping.

Contribution

It provides a comprehensive Monte Carlo analysis of the 2D Falicov-Kimball model, including phase diagram construction and the impact of next-nearest-neighbor hopping.

Findings

First order transition in weak interaction regime

Anomalous temperature dependence of correlation functions

Phase diagram including next-nearest-neighbor hopping effects

Abstract

The two-dimensional Falicov-Kimball (FK) model is analyzed using Monte Carlo method. In the case of concentrations of both itinerant and localized particles equal to 0.5 we determine temperature dependence of specific heat, charge density wave susceptibility and density-density correlation function. In the weak interaction regime we find a first order transition to the ordered state and anomalous temperature dependence of the correlation function. We construct the phase diagram of half-filled FK model. Also, the role of next-nearest-neighbor hopping on the phase diagram is analyzed. Lastly, we discuss the density of states and the spectral functions for the mobile particles in weak and strong interaction regime.