Individual atomic defects in 2D materials impact their macroscopic functionality. Correlating the interplay is challenging, however, intelligent hyperspectral scanning tunneling spectroscopy (STS) mapping provides a feasible solution to this technically difficult and time consuming problem. Here, dense spectroscopic volume is collected autonomously via Gaussian process regression, where convolutional neural networks are used in tandem for spectral identification. Acquired data enable defect segmentation, and a workflow is provided for machine-driven decision making during experimentation with capability for user customization. We provide a means towards autonomous experimentation for the benefit of both enhanced reproducibility and user-accessibility. Hyperspectral investigations on WS2 sulfur vacancy sites are explored, which is combined with local density of states confirmation on the Au{111} herringbone reconstruction. Chalcogen vacancies, pristine WS2, Au face-centered cubic, and Au hexagonal close packed regions are examined and detected by machine learning methods to demonstrate the potential of artificial intelligence for hyperspectral STS mapping.
@article{arxiv.2110.03351,
title = {Autonomous Investigations over WS$_2$ and Au{111} with Scanning Probe Microscopy},
author = {John C. Thomas and Antonio Rossi and Darian Smalley and Luca Francaviglia and Zhuohang Yu and Tianyi Zhang and Shalini Kumari and Joshua A. Robinson and Mauricio Terrones and Masahiro Ishigami and Eli Rotenberg and Edward S. Barnard and Archana Raja and Ed Wong and D. Frank Ogletree and Marcus M. Noack and Alexander Weber-Bargioni},
journal= {arXiv preprint arXiv:2110.03351},
year = {2022}
}