Magnetism and metallicity in moiré transition metal dichalcogenides

Patrick Tscheppe, Jiawei Zang, Marcel Klett, Seher Karakuzu, Armelle Celarier, Zhengqian Cheng, Chris A. Marianetti, Thomas A. Maier, Michel Ferrero, Andrew J. Millis, Thomas Schäfer

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

The ability to control the properties of twisted bilayer transition metal dichalcogenides in situ makes them an ideal platform for investigating the interplay of strong correlations and geometric frustration. Of particular interest are the low energy scales, which make it possible to experimentally access both temperature and magnetic fields that are of the order of the bandwidth or the correlation scale. In this manuscript, we analyze the moiré Hubbard model, believed to describe the low energy physics of an important subclass of the twisted bilayer compounds. We establish its magnetic and the metal-insulator phase diagram for the full range of magnetic fields up to the fully spinpolarized state. We find a rich phase diagram including fully and partially polarized insulating and metallic phases of which we determine the interplay of magnetic order, Zeeman-field, and metallicity, and make connection to recent experiments.

Original languageEnglish
Article numbere2311486121
JournalProceedings of the National Academy of Sciences of the United States of America
Volume121
Issue number3
DOIs
StatePublished - 2024

Funding

acknowledge use of the computational resources provided by the Max Planck Computing and Data Facility and by the IDCS mesocenter hosted at École Polytechnique. J.Z. acknowledges support from the NSF Materials REsearch Science and Engineering Center (MRSEC) program through the Center for Precision-Assembled Quantum Materials NSF-DMR-2011738 and A.J.M. was supported by Programmable Quantum Materials, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences, under award DE-SC0019443. The work by T.A.M. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. An award of computer time was provided by the INCITE program. This research also used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725. The work by Z.C. and C.A.M. was supported by the Columbia Center for Computational Electrochemistry. The Flatiron Institute is a division of the Simons Foundation.

FundersFunder number
Columbia Center for Computational Electrochemistry
U.S. Department of Energy
Office of ScienceDE-AC05-00OR22725
Basic Energy SciencesDE-SC0019443
Division of Materials Sciences and Engineering
Materials Research Science and Engineering Center, Harvard UniversityNSF-DMR-2011738

    Keywords

    • magnetism
    • metal-insulator transitions
    • moiré materials
    • strongly correlated systems

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