Tensor network approach to momentum-resolved spectroscopy in non-periodic super-moiré systems

Abstract

Computing spectral functions in large, non-periodic super-moiré systems remains an open problem due to the exceptionally large system size that must be considered. Here, we establish a tensor network methodology that allows computing momentum-resolved spectral functions of non-interacting and interacting super-moiré systems at an atomistic level. Our methodology relies on encoding an exponentially large tight-binding problem as an auxiliary quantum many-body problem, solved with a many-body kernel polynomial tensor network algorithm combined with a quantum Fourier transform tensor network. We demonstrate the method for one and two-dimensional super-moiré systems, including super-moiré with non-uniform strain, interactions treated at the mean-field level, and quasicrystalline super-moiré patterns. Furthermore, we demonstrate that our methodology allows us to compute momentum-resolved spectral functions restricted to selected regions of a super-moiré, enabling direct imaging of position-dependent electronic structure and minigaps in super-moiré systems with non-uniform strain. Our results establish a powerful methodology to compute momentum-resolved spectral functions in exceptionally large super-moiré systems, providing a tool to directly model quantum twisting microscope experiments in twisted van der Waals heterostructures.