Moire Kanamori-Hubbard model for transition metal dichalcogenide homobilayers

Ab initio and continuum model studies predicted that the Gamma valley transition metal dichalcogenide (TMD) homobilayers could simulate the conventional multiorbital Hubbard model on the moire honeycomb lattice. Here, we perform the Wannierization starting from the continuum model and show that a more general moire 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. Using the unrestricted Hartree-Fock and Lanczos techniques, we study these half-filled multiorbital moire 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.