{"paper":{"title":"First-Principles Calculation of the Bulk Photovoltaic Effect in the Polar Compounds LiAsS$_\\text{2}$, LiAsSe$_\\text{2}$, and NaAsSe$_\\text{2}$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Andrew M. Rappe, Fan Zheng, John A. Brehm, Steve M. Young","submitted_at":"2014-08-12T19:42:10Z","abstract_excerpt":"We calculate the shift current response, which has been identified as the dominant mechanism for the bulk photovoltaic effect, for the polar compounds LiAsS$_\\text{2}$, LiAsSe$_\\text{2}$, and NaAsSe$_\\text{2}$. We find that the magnitudes of the photovoltaic responses in the visible range for these compounds exceed the maximum response obtained for BiFeO$_\\text{3}$ by 10 - 20 times. We correlate the high shift current response with the existence of $p$ states at both the valence and conduction band edges, as well as the dispersion of these bands, while also showing that high polarization is no"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1408.2819","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":""},"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"}