Prediction of the Hubbard parameter from scanning tunneling microscopy images of moiré systems using image recognition
Phys. Rev. B 114, 055107 – Published 7 July, 2026
DOI: https://doi.org/10.1103/bfbh-2xv6
Abstract
The atomistic Hubbard interaction , representing the on-site Coulomb repulsion, serves as a pivotal parameter in theoretical models describing correlated systems, yet its precise experimental determination, especially in moiré systems, remains challenging. Scanning tunneling microscopy (STM) provides real-space images of the local density of states (LDOS), offering rich datasets that reflect the unique electronic structure of the material. Here, we introduce a systematic methodology for extracting the Hubbard parameter directly from these LDOS images through the application of machine learning in the case of twisted bilayer graphene in the flat-band regime. Accurate regression of is achieved despite the extremely high visual similarity between Fourier transform-LDOS (FT-LDOS) images corresponding to different interaction strengths. Subsequent data analysis further suggests a gradual interaction-dependent redistribution of spectral weight, with a possible crossover scale of order . To assess robustness beyond idealized simulations, we introduce physically motivated perturbations that emulate experimental STM imperfections and demonstrate that augmentation-based training substantially improves generalization to noisy and symmetry-broken FT-LDOS images.