{"paper":{"title":"A substitutional quantum defect in WS$_2$ discovered by high-throughput computational screening and fabricated by site-selective STM manipulation","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["quant-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Adam Schwartzberg, Alexander Weber-Bargioni, Antonio Rossi, Archana Raja, Bradford A. Barker, David A. Strubbe, Da Zhou, D. Frank Ogletree, Edward S. Barnard, Eli Rotenberg, Geoffroy Hautier, Gian-Marco Rignanese, John C. Thomas, Joshua A. Robinson, Junze Zhou, Marcus M. Noack, Mauricio Terrones, Nolan Kelly, Shalini Kumari, Sin\\'ead Griffin, Wei Chen, Weiru Chen, Yihuang Xiong, Zhuohang Yu","submitted_at":"2023-09-14T21:14:43Z","abstract_excerpt":"Point defects in two-dimensional materials are of key interest for quantum information science. However, the space of possible defects is immense, making the identification of high-performance quantum defects extremely challenging. Here, we perform high-throughput (HT) first-principles computational screening to search for promising quantum defects within WS$_2$, which present localized levels in the band gap that can lead to bright optical transitions in the visible or telecom regime. Our computed database spans more than 700 charged defects formed through substitution on the tungsten or sulf"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2309.08032","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2309.08032/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}