Stability of Wigner crystals and Mott insulators in twisted moiré structures

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Main Authors: Erkensten, Daniel, Brem, Samuel, Perea-Causin, Raul, Malic, Ermin
Format: Preprint
Published: 2024
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author Erkensten, Daniel
Brem, Samuel
Perea-Causin, Raul
Malic, Ermin
author_facet Erkensten, Daniel
Brem, Samuel
Perea-Causin, Raul
Malic, Ermin
contents Transition metal dichalcogenides (TMDs) constitute an intriguing platform for studying charge-ordered states including conventional and generalized Wigner crystals as well as Mott insulating states. In this work, we combine a phonon mode expansion of the electronic crystal vibrations with the Lindemann criterion to investigate the quantum and thermal stability of these strongly correlated phases in the exemplary materials of MoSe$_2$ monolayers and twisted MoSe$_2$-WSe$_2$ heterostructures. We find that the moiré potential in heterobilayers acts as a harmonic trap, flattening the energy dispersion of phonon excitations and resulting in an order of magnitude larger melting temperatures compared to monolayer Wigner crystals. Furthermore, we explore the tunability of the correlated states with respect to dielectric environment and bilayer stacking. In particular, we show that the reduced screening in free-standing TMDs results in a tenfold increase in the melting temperature compared to hBN-encapsulated TMDs. Moreover, the deeper moiré potential in R-type stacked heterostructures makes generalized Wigner crystals more stable than in H-type stacking. Overall, our study provides important microscopic insights on the stability and tunability of charge-ordered states in TMD-based structures.
format Preprint
id arxiv_https___arxiv_org_abs_2408_14553
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Stability of Wigner crystals and Mott insulators in twisted moiré structures
Erkensten, Daniel
Brem, Samuel
Perea-Causin, Raul
Malic, Ermin
Materials Science
Transition metal dichalcogenides (TMDs) constitute an intriguing platform for studying charge-ordered states including conventional and generalized Wigner crystals as well as Mott insulating states. In this work, we combine a phonon mode expansion of the electronic crystal vibrations with the Lindemann criterion to investigate the quantum and thermal stability of these strongly correlated phases in the exemplary materials of MoSe$_2$ monolayers and twisted MoSe$_2$-WSe$_2$ heterostructures. We find that the moiré potential in heterobilayers acts as a harmonic trap, flattening the energy dispersion of phonon excitations and resulting in an order of magnitude larger melting temperatures compared to monolayer Wigner crystals. Furthermore, we explore the tunability of the correlated states with respect to dielectric environment and bilayer stacking. In particular, we show that the reduced screening in free-standing TMDs results in a tenfold increase in the melting temperature compared to hBN-encapsulated TMDs. Moreover, the deeper moiré potential in R-type stacked heterostructures makes generalized Wigner crystals more stable than in H-type stacking. Overall, our study provides important microscopic insights on the stability and tunability of charge-ordered states in TMD-based structures.
title Stability of Wigner crystals and Mott insulators in twisted moiré structures
topic Materials Science
url https://arxiv.org/abs/2408.14553