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.

arXiv comment12 pages + 8 figures,PNAS in press

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• Theory of fractional Chern insulator states in pentalayer graphene moiré superlattice
• Interplay between topology and correlations in the second moiré band of twisted bilayer MoTe2
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• 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
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• Observation of Ferromagnetic Phase in the Second Moiré Band of Twisted MoTe2
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• Broken Symmetry in Ideal Chern Bands
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