Breathing-Driven Metal-Insulator Transition in Correlated Kagome Systems

Fuente: arXiv
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Main Authors: Duan, Qingzhuo, Jia, Zixuan, Fan, Zenghui, Ma, Runyu, Meng, Jingyao, Huang, Bing, Ma, Tianxing
Format: Preprint
Published: 2025
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author Duan, Qingzhuo
Jia, Zixuan
Fan, Zenghui
Ma, Runyu
Meng, Jingyao
Huang, Bing
Ma, Tianxing
author_facet Duan, Qingzhuo
Jia, Zixuan
Fan, Zenghui
Ma, Runyu
Meng, Jingyao
Huang, Bing
Ma, Tianxing
contents Inspired by the recent discovery of breathing kagome materials \(\rm Nb_3Cl_8\) and \(\rm Nb_3TeCl_7\), we have explored the influence of the breathing effect on the Hubbard model of the kagome lattice. Utilizing the determinant quantum Monte Carlo method, we first investigated the average sign problem in the breathing kagome lattice, which is significantly affected by both the breathing strength and the interaction strength. Secondly, we calculated the electronic kinetic energy, the direct current conductivity, and the electronic density of states at the Fermi level to determine the critical interaction strength for the metal-insulator transition. Our results indicate that the breathing effect, in conjunction with the interaction strength, drives the kagome system from a metal to an insulator. Finally, we evaluated the magnetic properties and constructed a phase diagram incorporating both transport and magnetic properties. The phase diagram reveals that as the interaction strength increases, the system transitions from a paramagnetic metal to a Mott insulator. Our research provides a theoretical guidance for utilizing the breathing effect to control the band gaps, conductivity, and magnetic properties of kagome materials with electronic interactions.
format Preprint
id arxiv_https___arxiv_org_abs_2506_07529
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Breathing-Driven Metal-Insulator Transition in Correlated Kagome Systems
Duan, Qingzhuo
Jia, Zixuan
Fan, Zenghui
Ma, Runyu
Meng, Jingyao
Huang, Bing
Ma, Tianxing
Strongly Correlated Electrons
Inspired by the recent discovery of breathing kagome materials \(\rm Nb_3Cl_8\) and \(\rm Nb_3TeCl_7\), we have explored the influence of the breathing effect on the Hubbard model of the kagome lattice. Utilizing the determinant quantum Monte Carlo method, we first investigated the average sign problem in the breathing kagome lattice, which is significantly affected by both the breathing strength and the interaction strength. Secondly, we calculated the electronic kinetic energy, the direct current conductivity, and the electronic density of states at the Fermi level to determine the critical interaction strength for the metal-insulator transition. Our results indicate that the breathing effect, in conjunction with the interaction strength, drives the kagome system from a metal to an insulator. Finally, we evaluated the magnetic properties and constructed a phase diagram incorporating both transport and magnetic properties. The phase diagram reveals that as the interaction strength increases, the system transitions from a paramagnetic metal to a Mott insulator. Our research provides a theoretical guidance for utilizing the breathing effect to control the band gaps, conductivity, and magnetic properties of kagome materials with electronic interactions.
title Breathing-Driven Metal-Insulator Transition in Correlated Kagome Systems
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2506.07529