Engineering 2D square lattice Hubbard models in 90$^\circ$ twisted Ge/SnX (X=S, Se) moiré supperlattices

Abstract: Due to the large-period superlattices emerging in moir\'e two-dimensional (2D) materials, electronic states in such systems exhibit low energy flat bands that can be used to simulate strongly correlated physics in a highly tunable setup. While many investigations have thus far focused on moir\'e flat bands and emergent correlated electron physics in triangular, honeycomb and quasi-one-dimensional lattices, tunable moir\'e realizations of square lattices subject to strong correlations remain elusive. Here we propose a feasible scheme to construct moire square lattice systems by twisting two layers of 2D materials in a rectangular lattice by 90 degrees. We demonstrate such scheme with twisted Ge/SnX (X=S,Se) moir\'e superlattices and theoretical calculate their electronic structures from first principles. We show that the lowest conduction flat band in these systems can be described by a square lattice Hubbard model with parameters which can be controlled by varying the choice of host materials, number of layers, and external electric fields. In particular, twisted double bilayer GeSe realizes a square lattice Hubbard model with strong frustration due to the next nearest neighbour hopping that could lead to unconventional superconductivity, in close analogy to the Hubbard model for copper-oxygen planes of cuprate high-temperature superconductors. The basic concept of using 90-degree twisted 2D materials with rectangular unit cell to realize the square lattice Hubbard model works in general and therefore we establish those systems as tunable platforms to simulate correlation physics in such a geometries.