{"paper":{"title":"Excited states of defect lines in silicon: A first-principles study based on hydrogen cluster analogues","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci","cond-mat.str-el","physics.atm-clus","physics.optics"],"primary_cat":"cond-mat.mes-hall","authors_text":"A. J. Fisher, B. N. Murdin, Nguyen H Le, P. T. Greenland, S. Chick, W. Wu","submitted_at":"2017-10-05T13:30:45Z","abstract_excerpt":"Excited states of a single donor in bulk silicon have previously been studied extensively based on effective mass theory. However, a proper theoretical description of the excited states of a donor cluster is still scarce. Here we study the excitations of lines of defects within a single-valley spherical band approximation, thus mapping the problem to a scaled hydrogen atom array. A series of detailed full configuration-interaction and time-dependent hybrid density-functional theory calculations have been performed to understand linear clusters of up to 10 donors. Our studies illustrate the gen"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1710.02006","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"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"}