Symmetric Wannier states and tight-binding model for quantum spin Hall bands in AB-stacked MoTe$_2$/WSe$_2$

Abstract

Motivated by the observation of topological states in AB-stacked MoTe$_2$/WSe$_2$, we construct the symmetry-adapted Wannier states and tight-binding model for the quantum spin Hall bands in this system. Our construction is based on the symmetry analysis of Bloch states obtained from the continuum moiré Hamiltonian. For model parameters extracted from first-principles calculations, we find that the quantum spin Hall bands can be described by a tight-binding model defined on a triangular lattice. There are two Wannier states per valley, which have the same Wannier center but different angular momenta under threefold rotation. The tight-binding model not only reproduces the energy spectrum, but also accurately describes the topological phase transition induced by the out-of-plane displacement field. Our study sheds new light on the topological states in moiré transition metal dichalcogenides bilayers, and provides a route to addressing the many-body physics in AB-stacked MoTe$_2$/WSe$_2$.