Moiré Kanamori-Hubbard model for transition metal dichalcogenide homobilayers

Moiré materials constructed using the transition metal dichalcogenide (TMD) bilayers have been used to simulate the Hubbard model procuring the variety of strongly correlated states. Recent ab initio and continuum model studies predicted that the gamma valley TMD homobilayers could simulate multiorbital physics on the moiré honeycomb lattice. Here, we perform the Wannierization starting from the continuum model and show that a more general moiré Kanamori-Hubbard model emerges, beyond the extensively studied standard multiorbital Hubbard model, which can be used to investigate the many-body physics in the gamma valley TMD homobilayers [1]. Using the unrestricted Hartree-Fock and Lanczos techniques, we study the half-filled multiorbital moiré bands. By constructing the phase diagrams we predict the presence of an antiferromagnetic state and in addition we found unexpected and dominant states, such as a S=1 ferromagnetic insulator and a charge density wave state. Our theoretical predictions made using this model can be tested in future experiments on the gamma valley TMD homobilayers.

[1] Nitin Kaushal and Elbio Dagotto, Phys. Rev. B 107, L201118 (2023).