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  • Letter

Charge density waves in kagome-lattice extended Hubbard models at the van Hove filling

Francesco Ferrari1, Federico Becca2, and Roser Valentí1

  • 1Institute for Theoretical Physics, Goethe University Frankfurt, Max-von-Laue-Straße 1, D-60438 Frankfurt am Main, Germany
  • 2Dipartimento di Fisica, Università di Trieste, Strada Costiera 11, I-34151 Trieste, Italy

Phys. Rev. B 106, L081107 – Published 8 August, 2022

DOI: https://doi.org/10.1103/PhysRevB.106.L081107

Abstract

The Hubbard model on the kagome lattice is presently often considered as a minimal model to describe the rich low-temperature behavior of AV3Sb5 compounds (with A=K,Rb,Cs), including charge density waves (CDWs), superconductivity, and possibly broken time-reversal symmetry. Here, we investigate, via variational Jastrow-Slater wave functions, the properties of its ground state when both on-site U and nearest-neighbor V Coulomb repulsions are considered at the van Hove filling. Our calculations reveal the presence of different interaction-driven CDWs and, contrary to previous renormalization-group studies, the absence of ferromagnetism and charge- or spin-bond order. No signatures of chiral phases are detected. Remarkably, the CDWs triggered by the nearest-neighbor repulsion possess charge disproportionations that are not compatible with the ones observed in AV3Sb5. As an alternative mechanism to stabilize charge-bond order, we consider the electron-phonon interaction, modeled by coupling the hopping amplitudes to quantum phonons, as in the Su-Schrieffer-Heeger model. Our results show the instability towards a trihexagonal distortion with 2×2 periodicity, in closer agreement with experimental findings.

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