Maximally Localized Wannier Orbitals, Interaction Models and Fractional Quantum Anomalous Hall Effect in Twisted Bilayer MoTe2

Abstract

We investigate the moiré band structures and the strong correlation effects in twisted bilayer MoTe${}_2$ for a wide range of twist angles, employing a combination of various techniques. Using large-scale first principles calculations, we pinpoint realistic continuum modeling parameters, subsequently deriving the maximally localized Wannier functions for the top three moiré bands. Simplifying our model with reasonable assumptions, we obtain a minimal two-band model, encompassing Coulomb repulsion, correlated hopping, and spin exchange. Our minimal interaction models pave the way for further exploration of the rich many-body physics in twisted MoTe${}_2$. Furthermore, we explore the phase diagrams of the system through Hartree-Fock approximation and exact diagonalization. Our two-band exact diagonalization analysis underscores significant band-mixing effects in this system, which enlarge the optimal twist angle for fractional quantum anomalous Hall states.

12 pages + 8 figures,PNAS in press

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Cited by in corpus (47)

• Band mixing in the quantum anomalous Hall regime of twisted semiconductor bilayers
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• Interplay between topology and correlations in the second moiré band of twisted bilayer MoTe2
• Transfer learning relaxation, electronic structure and continuum model for twisted bilayer MoTe${}_2$
• Quantum anomalous Hall crystal at fractional filling of moiré superlattices
• 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
• Theory of Correlated Insulators and Superconductor at $\nu =1$ in Twisted WSe${}_2$
• Halperin States of Particles and Holes in Ideal Time Reversal Invariant Pairs of Chern Bands and The Fractional Quantum Spin Hall Effect in Moiré MoTe${}_2$
• Variational Mapping of Chern Bands to Landau Levels: Application to Fractional Chern Insulators in Twisted MoTe${}_2$
• Higher vortexability: zero field realization of higher Landau levels
• Bridging the small and large in twisted transition metal dicalcogenide homobilayers: a tight binding model capturing orbital interference and topology across a wide range of twist angles
• Fractional quantum anomalous Hall effect in a singular flat band
• 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 ${\mathrm{MoTe}}_2$
• Quantum Geometry Probed by Chiral Excitonic Optical Response of Chern Insulators
• Topological quantum phase transitions driven by a displacement field in the twisted MoTe2 bilayers
• General Electronic Structure Calculation Method for Twisted Systems
• Single-particle spectral function of fractional quantum anomalous Hall states
• Non-Abelian Fractional Chern Insulators and Competing States in Flat Moiré Bands
• Observation of Ferromagnetic Phase in the Second Moiré Band of Twisted MoTe2
• Quantum anomalous, spin, and valley Hall effects in pentalayer rhombohedral graphene moiré superlattices
• Broken Symmetry in Ideal Chern Bands
• Moiré Band Engineering in Twisted Trilayer WSe2
• Characterization of fractional Chern insulator quasiparticles in twisted homobilayer MoTe${}_2$
• Chiral superconductivity from spin polarized Chern band in twisted MoTe${}_2$
• Twistronics and moiré superlattice physics in 2D transition metal dichalcogenides
• Parafermions in Moiré Minibands
• Topological magnons and domain walls in twisted bilayer MoTe${}_2$
• Isolated nearly flat higher Chern band in monolayer transition metal trihalides
• Quantum anomalous Hall effects and emergent $\mathrm{SU}(2)$ Hall ferromagnets at fractional filling of helical trilayer graphene
• Multi-Band Exact Diagonalization and an Iteration Approach to Hunt For Fractional Chern Insulators in Rhombohedral Multilayer Graphene
• Quantum Phases in Twisted Homobilayer Transition Metal Dichalcogenides
• Candidate for a Fractional Topological Insulator in Twisted MoTe2
• Dirac quantum criticality in twisted double bilayer transition metal dichalcogenides
• Twisted Type-II Rashba Homobilayer: A Platform for Tunable Topological Flat Bands
• Spinless and spinful charge excitations in moiré Fractional Chern Insulators
• Chern-Selective multi-valley Flat Bands in Twisted Mono-Bilayer and Mono-Trilayer MoTe${}_2$
• Doping-induced Quantum Anomalous Hall Crystals and Topological Domain Walls
• Three-dimensional flat bands and possible interlayer triplet pairing superconductivity in the alternating twisted NbSe${}_2$ moiré bulk
• Relaxation and Its Effects on Electronic Structure in Twisted Systems: An Analytical Perspective
• Topological Order Without Band Topology in Moiré Graphene
• Abelian and non-Abelian fractionalized states in twisted MoTe${}_2$: A generalized Landau-level theory
• Insulating charge transfer ferromagnetism