Polarization-driven band topology evolution in twisted MoTe${}_2$ and WSe${}_2$

Abstract

Motivated by recent experimental observations of opposite Chern numbers in $R$-type twisted MoTe${}_2$ and WSe${}_2$ homobilayers, we perform large-scale density-functional-theory (DFT) calculations with machine learning force fields to investigate moiré band topology from large to small twist angles in both materials. We find that the Chern numbers of the moiré frontier bands change sign as a function of twist angle, and this change is driven by the competition between moiré ferroelectricity and piezoelectricity. Our large-scale calculations, enabled by machine learning methods, reveal crucial insights into interactions across different scales in twisted bilayer systems. The interplay between atomic-level relaxation effects and moiré-scale electrostatic potential variation opens new avenues for the design of intertwined topological and correlated states, including the possibility of mimicking higher Landau-level physics in the absence of a magnetic field.

arXiv comment8 pages, 5 figures

References in corpus (48)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides
• Optimized norm-conserving Vanderbilt pseudopotentials
• Moire bands in twisted double-layer graphene
• MoS_2 as an ideal material for valleytronics: valley-selective circular dichroism and valley Hall effect
• Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics
• DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
• Intrinsic quantized anomalous Hall effect in a moiré heterostructure
• High temperature fractional quantum Hall states
• Fractional quantum Hall states at zero magnetic field
• Nearly-flat bands with nontrivial topology
• Stacking-engineered ferroelectricity in bilayer boron nitride
• Topological insulators in twisted transition metal dichalcogenide homobilayers
• Interfacial Ferroelectricity by van-der-Waals Sliding
• Tunable Correlated Chern Insulator and Ferromagnetism in Trilayer Graphene/Boron Nitride Moiré Superlattice
• Signatures of Fractional Quantum Anomalous Hall States in Twisted MoTe2 Bilayer
• Observation of Fractionally Quantized Anomalous Hall Effect
• Fractional quantum Hall effect in the absence of Landau levels
• Quantum anomalous Hall effect from intertwined moiré bands
• Interfacial ferroelectricity in rhombohedral-stacked bilayer transition metal dichalcogenides
• Fractional Chern insulators in magic-angle twisted bilayer graphene
• Integer and fractional Chern insulators in twisted bilayer MoTe2
• Bulk Topological Invariants in Noninteracting Point Group Symmetric Insulators
• Interface engineering of quantum Hall effects in digital transition metal oxide heterostructures
• Ultraflat bands and shear solitons in Moiré patterns of twisted bilayer transition metal dichalcogenides
• Atomic reconstruction in twisted bilayers of transition metal dichalcogenides
• Topological Exciton Bands in Moiré Heterojunctions
• Interfacial ferroelectricity in marginally twisted 2D semiconductors
• Charge-polarized interfacial superlattices in marginally twisted hexagonal boron nitride
• Relaxation and Domain Formation in Incommensurate 2D Heterostructures
• Observation of fractional Chern insulators in a van der Waals heterostructure
• Ab-Initio Theory of Moiré Superlattice Bands in Layered Two-Dimensional Materials
• Stacking domains and dislocation networks in marginally twisted bilayers of transition metal dichalcogenides
• Band topology, Hubbard model, Heisenberg model, and Dzyaloshinskii-Moriya interaction in twisted bilayer WSe${}_2$
• Fractional Chern Insulator in Twisted Bilayer MoTe${}_2$
• Structural and electronic transformation in low-angle twisted bilayer graphene
• Bloch Model Wavefunctions and Pseudopotentials for All Fractional Chern Insulators
• Giant magnetic field from moiré induced Berry phase in homobilayer semiconductors
• Mapping twist-tuned multiband topology in bilayer WSe${}_2$
• Polarization-driven band topology evolution in twisted MoTe${}_2$ and WSe${}_2$
• Polar meron-antimeron networks in strained and twisted bilayers
• Rotational and Dilational Reconstruction in Transition Metal Dichalcogenide Moiré Bilayers
• Multifaceted moiré superlattice physics in twisted WSe${}_2$ bilayers
• Moire Potential, Lattice Relaxation and Layer Polarization in Marginally Twisted MoS2 Bilayers
• Theory of tunable flux lattices in the homobilayer moiré of twisted and uniformly strained transition metal dichalcogenides
• Transfer learning relaxation, electronic structure and continuum model for twisted bilayer MoTe${}_2$
• Moiré induced topology and flat bands in twisted bilayer WSe${}_2$: A first-principles study

Cited by in corpus (46)

• Polarization-driven band topology evolution in twisted MoTe${}_2$ and WSe${}_2$
• Interplay between topology and correlations in the second moiré band of twisted bilayer MoTe2
• Non-Abelian Fractional Quantum Anomalous Hall States and First Landau Level Physics in Second Moiré Band of Twisted Bilayer MoTe2
• Multiple Chern bands in twisted MoTe${}_2$ and possible non-Abelian states
• Higher Landau-Level Analogs and Signatures of Non-Abelian States in Twisted Bilayer MoTe${}_2$
• Adiabatic Approximation and Aharonov-Casher Bands in Twisted Homobilayer TMDs
• Moiré Fractional Chern Insulators III: Hartree-Fock Phase Diagram, Magic Angle Regime for Chern Insulator States, the Role of the Moiré Potential and Goldstone Gaps in Rhombohedral Graphene Superlattices
• Superconductivity in twisted transition metal dichalcogenide homobilayers
• Theory of Generalized Landau Levels and Implication for non-Abelian States
• Variational Mapping of Chern Bands to Landau Levels: Application to Fractional Chern Insulators in Twisted MoTe${}_2$
• Hidden States and Dynamics of Fractional Fillings in tMoTe2 Moiré Superlattices
• Visualizing the microscopic origins of topology in twisted molybdenum ditelluride
• Contrasting twisted bilayer graphene and transition metal dichalcogenides for fractional Chern insulators: an emergent gauge picture
• Experimental signature of layer skyrmions and implications for band topology in twisted WSe2 bilayers
• Theory of Topological Superconductivity and Antiferromagnetic Correlated Insulators in Twisted Bilayer WSe${}_2$
• Spinon pairing induced by chiral in-plane exchange and the stabilization of odd-spin Chern number spin liquid in twisted ${\mathrm{MoTe}}_2$
• Non-Abelian spin Hall insulator
• Theory of intervalley-coherent AFM order and topological superconductivity in tWSe${}_2$
• Interacting phase diagram of twisted bilayer MoTe${}_2$ in magnetic field
• Hofstadter spectrum of Chern bands in twisted transition metal dichalcogenides
• Attractive Haldane bilayers for trapping non-Abelian anyons
• Pressure-Driven Moiré Potential Enhancement and Tertiary Gap Opening in Graphene/h-BN Heterostructure
• Observation of Ferromagnetic Phase in the Second Moiré Band of Twisted MoTe2
• Chiral superconductivity from spin polarized Chern band in twisted MoTe${}_2$
• Chern-Textured Exciton Insulators with Valley Spiral Order in Moiré Materials
• Twistronics and moiré superlattice physics in 2D transition metal dichalcogenides
• Electromagnetic response and emergent topological orders in transition metal dichalcogenide MoTe${}_2$ bilayers
• Moiré band theory for M-valley twisted transition metal dichalcogenides
• Quantum Phases in Twisted Homobilayer Transition Metal Dichalcogenides
• Multi-Band Exact Diagonalization and an Iteration Approach to Hunt For Fractional Chern Insulators in Rhombohedral Multilayer Graphene
• Orbital Magnetization of Correlated States in Twisted Bilayer Transition Metal Dichalcogenides
• Anisotropic moiré band flattening in twisted bilayers of M-valley MXenes
• MoireStudio: A Universal Twisted Electronic Structure Calculation Package
• Twisted Type-II Rashba Homobilayer: A Platform for Tunable Topological Flat Bands
• Magnetic Hofstadter cascade in a twisted semiconductor homobilayer
• In-plane magnetic field-induced orbital FFLO superconductivity in twisted WSe${}_2$ homobilayers
• Incipient quantum spin Hall insulator under strong correlations
• Probing Quantum Anomalous Hall States in Twisted Bilayer WSe2 via Attractive Polaron Spectroscopy
• Propagating Collective Spin-valley Modes in Twisted WSe2
• Theory for Lattice Relaxation in Marginal Twist Moirés
• Three-dimensional flat bands and possible interlayer triplet pairing superconductivity in the alternating twisted NbSe${}_2$ moiré bulk
• Pressure-Tunable Generalized Wigner Crystal and Fractional Chern Insulator in twisted MoTe${}_2$
• Relaxation and Its Effects on Electronic Structure in Twisted Systems: An Analytical Perspective
• Orbital Description of Landau Levels
• Stripe antiferromagnetism and chiral superconductivity in tWSe${}_2$
• Robustness of real-space topology in moiré systems