Competing Generalized Wigner Crystal States in Moiré Heterostructures

Abstract

We present a comprehensive study of generalized Wigner crystals across various filling factors for system sizes up to 162 holes employing Hartree-Fock theory and explicitly correlated wave function approaches. While we find broad agreement with the behavior observed in experiments and classical Monte Carlo simulations, we highlight the fact that the Hartree-Fock energy landscape appears to be remarkably complex, exhibiting many competing states, both ordered and disordered, separated by energies of a fraction of $\sim$ 1 meV/hole. We demonstrate which of the located states are metastable by performing a stability analysis at the Hartree-Fock level. Correlated wave function methods furthermore reveal small correlation energies that are nevertheless large enough to tip the balance of state ordering found within Hartree-Fock theory.

arXiv comment17 pages, 12 figures

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• Charge and spin properties of a generalized Wigner crystal realized in the moiré WSe${}_2$/WS${}_2$ heterobilayer
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• Particle-Hole Asymmetry and Pinball Liquid in a Triangular-Lattice Extended Hubbard Model within Mean-Field Approximation
• Moiré excitons in generalized Wigner crystals
• Theory of interaction-induced charge order in CrSBr
• Stability of the Mott phase in excitonic double layers