Variational Monte-Carlo Approach for Hubbard Model Applied to Twisted Bilayer WSe${}_2$ at Half-Filling

Abstract

We consider an effective Hubbard model with spin- and direction-dependent complex hoppings $t$, applied to twisted homobilayer WSe${}_2$ using a variational Monte Carlo approach. The electronic correlations are taken into account by applying the Gutzwiller on-site correlator as well as long-range Jastrow correlators subjected to noninteracting part being of Pfaffian form. Our analysis shows the emergence of Mott insulating state at critical value of Hubbard interaction $U_{c1}\approx 6.5|t|÷7|t|$ estimated by extrapolating the density-density equal-time two-particle Green's functions. The signatures of an intermediate insulating phase between $U_{c1}$ and $U_{c2}\approx 9.5|t|÷10|t|$ are also discussed. Furthermore, we report the formation of the $120^{\circ }$ in-plane Néel state indicated by the detailed analysis of the spin-spin correlation functions. As shown, switching between antiferromagnetic phases characterized by opposite chirality could be experimentally realized by the change of perpendicular electric field. In proper range of electric fields also a transition to in-plane ferromagnetic state appears.