{"paper":{"title":"Combining experiments on luminescent centres in hexagonal boron nitride with the polaron model and ab initio methods towards the identification of their microscopic origin","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["physics.optics"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alexander H\\\"otger, Alexander W. Holleitner, Ali Sajid, Christoph Kastl, Denys I. Miakota, Jake Iles-Smith, Kristian S. Thygesen, Mark. K. Svendsen, Martijn Wubs, Moritz Fischer, Nicolas Stenger, Sanshui Xiao, Stela Canulescu","submitted_at":"2022-09-19T10:40:21Z","abstract_excerpt":"The two-dimensional material hexagonal boron nitride (hBN) hosts luminescent centres with emission energies of 2 eV which exhibit pronounced phonon sidebands. We investigate the microscopic origin of these luminescent centres by combining ab initio calculations with non-perturbative open quantum system theory to study the emission and absorption properties of 26 defect transitions. Comparing the calculated line shapes with experiments we narrow down the microscopic origin to three carbon-based defects: $\\mathrm{C_2C_B}$, $\\mathrm{C_2C_N}$, and $\\mathrm{V_NC_B}$. The theoretical method develope"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2209.08910","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/2209.08910/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"}