{"paper":{"title":"Structure change, layer sliding, and metallization in high-pressure MoS$_{2}$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.supr-con"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Erio Tosatti, Liliana Hromadov\\'a, Roman Marto\\v{n}\\'ak","submitted_at":"2013-01-04T17:52:03Z","abstract_excerpt":"Based on ab initio calculations and metadynamics simulations, we predict that 2H-MoS$_2$, a layered insulator, will metallize under pressures in excess of 20-30 GPa. In the same pressure range, simulations and enthalpy optimization predict a structural transition. Free mutual sliding of layers takes place at this transition, the original 2H$_c$ stacking changing to a 2H$_a$ stacking typical of 2H-NbSe$_2$, an event explaining for the first time previously mysterious X-ray diffraction and Raman spectroscopy data. Phonon and electron phonon calculations suggest that pristine MoS$_2$, once metall"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1301.0781","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"}