Kondo lattice model: from local to non-local descriptions

TL;DR

This paper investigates the two-dimensional Kondo lattice model using a dual-fermion approach to incorporate non-local correlations, revealing effects on electronic self-energy, phase transitions, and the validity of local approximations.

Contribution

It introduces a dual-fermion implementation with CT-HYB for the Kondo lattice model, comparing local and non-local descriptions and analyzing their impact on phase behavior and electronic properties.

Findings

Non-locality restores self-energy dispersion.

Antiferromagnetic correlations induce symmetry in self-energy.

Transition from metal to Kondo insulator observed.

Abstract

In this paper, we study the influence of spatial fluctuations in a two-dimentional Kondo-Lattice model (KLM) with anti-ferromagnetic couplings. To accomplish this, we first present an implementation of the dual-fermion (DF) approach based on the hybridization expansion continuous-time quantum Monte Carlo impurity solver (CT-HYB), which allows us to consistently compare the local and non-local descriptions of this model. We find that, the inclusion of non-locality restores the self-energy dispersion of the conduction electrons, {\it i.e.} the $\vec{k}$ dependence of $\Sigma(\vec{k}, i\omega_{n})$. The anti-ferromagnetic correlations result in an additional symmetry in $\Sigma(\vec{k}, i\omega_{n})$, which is well described by the N\'eel antiferromagnetic wave-vector. A "metal"-"anti-ferromagnetic insulator"-"Kondo insulator" transition is observed at finite temperatures, which is driven by the competition of the effective RKKY interaction (at the weak coupling regime) and the Kondo singlet formation mechanism (at the strong coupling regime). Away from half-filling, the anti-ferromagnetic phase becomes unstable against hole doping. The system tends to develop a ferromagnetic phase with the spin susceptibility $\chi_{s}(Q)$ peaking at $Q=\Gamma$. However, for small $J/t$, no divergence of $\chi_{s}(\Gamma)$ is really observed, thus, we find no sign of long-range ferromagnetism in the hole-doped two-dimension KLM. The ferromagnetism is found to be stable at larger $J/t$ regime. Interestingly, we find the local approximation employed in this work, {\it i.e.} the dynamical mean-field theory (DMFT), is still a very good description of the KLM, especially in the hole-doped case. However, at half-filling, the non-local fluctuation effect is indeed pronounced. We observe a strong reduction of the critical coupling strength for the onset of the Kondo insulating phase.