{"paper":{"title":"Effects of the number of layers on the vibrational, electronic and optical properties of alpha lead oxide","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"cond-mat.mes-hall","authors_text":"Ali Bakhtatou, Fatih Ersan","submitted_at":"2018-09-19T16:02:06Z","abstract_excerpt":"We have investigated the effects of number of layers on the structural, vibrational, electronic and optical properties of $\\alpha$-PbO using first principles calculations. Our theoretical calculations have shown that four Raman active modes of $\\alpha$-PbO tend to red-shift from bulk to monolayer due to decreasing of force constants and increasing of bond lengths. It has been shown that while bulk and multilayer $\\alpha$-PbO have an indirect band gap, monolayer form has a direct band gap value of 2.59 eV. Although lead atoms have 5d states, spin-orbit coupling does not significantly affect the"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1809.07263","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"}