{"paper":{"title":"Electron-phonon coupling and exchange-correlation effects in superconducting ${\\rm H_3S}$ under high pressure","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.str-el"],"primary_cat":"cond-mat.supr-con","authors_text":"Henry Krakauer, Matej Komelj","submitted_at":"2015-09-03T22:38:01Z","abstract_excerpt":"We investigate the ${\\rm H_3S}$ phase of sulphur hydride under high pressure $\\simeq$ 200 GPa by means of {\\it ab-initio} calculations within the framework of the density-functional theory (DFT) with the PBE0 hybrid exchange-correlation ($E_{\\rm xc}$) approximation. The choice of $E_{\\rm xc}$ has the largest effect on the calculated electron-phonon coupling (EPC) matrix elements; the high pressure equation of state and phonon frequencies are only slightly modified. Mode-dependent EPC correction factors are determined from PBE0 using a frozen-phonon supercell approach, while standard density-fu"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1509.01297","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"}