ArXiv · 2026
We present a comprehensive exact-diagonalization study of interaction-driven phases in twisted bilayer MoTe₂ across experimentally relevant twist angles (2.13^∘--4^∘) and hole fillings. Using continuum-model moiré bands, we compare the one-band-per-valley (1BPV) projection with a two-band-per-valley (2BPV) calculation that includes interaction-driven band mixing, and we benchmark both the widely used first-harmonic continuum model and a parameter-free DFT ``fitting-free'' model. At odd-denominator fillings, the 2BPV calculation reproduces the experimentally observed hierarchy of fractional Chern insulators (FCIs) around θ≈ 3.7^∘, including robust incompressible states at ν=-2/3, -3/5, and -4/7 while correctly finding the absence of an FCI at ν=-3/7, and it favors a charge density wave ground state at ν=-1/3 over the FCI. At half filling ν=-1/2, the 1BPV calculation exhibits clear composite Fermi liquid (CFL) signatures, whereas the band mixing in 2BPV calculations destabilizes the CFL ground state. Finally, motivated by the Landau-level analogy at θ≈ 2.13^∘, we test the proposed non-abelian Pfaffian state at ν=-3/2 in the fully-polarized spin sector but find no evidence for this state within the models and parameters studied. Our results establish a unified numerical benchmark for correlated and topological phases in twisted bilayer MoTe₂ and clarify where multi-band physics is essential for a quantitative comparison with experiments.
Try inveni