Competing magnetic states in transition metal dichalcogenide moiré materials

Hu, Nai Chao; MacDonald, Allan H.

doi:10.1103/physrevb.104.214403

Title: Competing magnetic states in transition metal dichalcogenide moiré materials

Abstract

Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moiré bands that are approximately described by triangular lattice generalized Hubbard models. In this paper we explore the metallic and insulating states that appear under different control conditions at a density of one electron per moiré period and the transitions between them. By combining fully self-consistent Hartree-Fock theory calculations with strong-coupling expansions around the atomic limit, we identify four different magnetic states and one nonmagnetic state near the model phase diagram’s metal-insulator phase transition line. Here, ferromagnetic insulating states, stabilized by nonlocal direct exchange interactions, are surprisingly prominent.

Authors:

^[1]; MacDonald, Allan H. ^[1]

Univ. of Texas, Austin, TX (United States)

Publication Date:: Fri Dec 03 00:00:00 EST 2021

Research Org.:: Univ. of Texas, Austin, TX (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1833816

Grant/Contract Number:: SC0019481

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 104; Journal Issue: 21; Journal ID: ISSN 2469-9950

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Moiré materials; Magnetic orderMagnetic phase transitions; Phase diagrams; Magnetic semiconductors; Mott insulators; Noncollinear magnets; Transition-metal dichalcogenide; Hartree-Fock methods; Heisenberg model; Hubbard model

Citation Formats


                    Hu, Nai Chao, and MacDonald, Allan H. Competing magnetic states in transition metal dichalcogenide moiré materials.  United States: N. p., 2021. 
Web.  doi:10.1103/physrevb.104.214403.

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                    Hu, Nai Chao, & MacDonald, Allan H. Competing magnetic states in transition metal dichalcogenide moiré materials.  United States.  https://doi.org/10.1103/physrevb.104.214403

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                    Hu, Nai Chao, and MacDonald, Allan H. Fri .  
"Competing magnetic states in transition metal dichalcogenide moiré materials".  United States.  https://doi.org/10.1103/physrevb.104.214403.  https://www.osti.gov/servlets/purl/1833816.

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@article{osti_1833816,

  title        = {Competing magnetic states in transition metal dichalcogenide moiré materials},

  author       = {Hu, Nai Chao and MacDonald, Allan H.},

  abstractNote = {Small-twist-angle transition metal dichalcogenide (TMD) heterobilayers develop isolated flat moiré bands that are approximately described by triangular lattice generalized Hubbard models. In this paper we explore the metallic and insulating states that appear under different control conditions at a density of one electron per moiré period and the transitions between them. By combining fully self-consistent Hartree-Fock theory calculations with strong-coupling expansions around the atomic limit, we identify four different magnetic states and one nonmagnetic state near the model phase diagram’s metal-insulator phase transition line. Here, ferromagnetic insulating states, stabilized by nonlocal direct exchange interactions, are surprisingly prominent.},

  doi          = {10.1103/physrevb.104.214403},

  journal      = {Physical Review B},

  number       = 21,

  volume       = 104,

  place        = {United States},

  year         = {Fri Dec 03 00:00:00 EST 2021},

  month        = {Fri Dec 03 00:00:00 EST 2021}

}

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Simulation of Hubbard model physics in WSe2/WS2 moiré superlattices
journal, March 2020

Correlated insulating states at fractional fillings of moiré superlattices
journal, November 2020

Metal-insulator transition in transition metal dichalcogenide heterobilayer moiré superlattices
journal, June 2021

Spin liquid phase of the $S = \frac{1}{2} J_{1} - J_{2}$ Heisenberg model on the triangular lattice
journal, July 2015

Dilute Electron Gas near the Metal-Insulator Transition: Role of Valleys in Silicon Inversion Layers
journal, December 2001

Moire bands in twisted double-layer graphene
journal, July 2011

Correlated insulator behaviour at half-filling in magic-angle graphene superlattices
journal, March 2018

Tuning superconductivity in twisted bilayer graphene
journal, January 2019

Topological Insulators in Twisted Transition Metal Dichalcogenide Homobilayers
journal, February 2019

Signatures of tunable superconductivity in a trilayer graphene moiré superlattice
journal, July 2019

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981

Unusual ordered phases of highly frustrated magnets: a review
journal, April 2015

Moiré quantum chemistry: Charge transfer in transition metal dichalcogenide superlattices
journal, November 2020

Berry phase effects on electronic properties
journal, July 2010

Non-coplanar Model States in Quantum Magnetism Applications of the High-Order Coupled Cluster Method
journal, May 2019