eprintid: 1304619 rev_number: 38 eprint_status: archive userid: 608 dir: disk0/01/30/46/19 datestamp: 2011-04-25 20:58:14 lastmod: 2021-11-01 01:54:56 status_changed: 2011-04-25 20:58:14 type: article metadata_visibility: show item_issues_count: 0 creators_name: Kim, DY creators_name: Scheicher, RH creators_name: Pickard, CJ creators_name: Needs, RJ creators_name: Ahuja, R title: Predicted Formation of Superconducting Platinum-Hydride Crystals under Pressure in the Presence of Molecular Hydrogen ispublished: pub divisions: UCL divisions: B04 divisions: C06 keywords: STRONG-COUPLED SUPERCONDUCTORS, DIAMOND-ANVIL CELL, TRANSITION-TEMPERATURE, D-METALS, PHASE, SYSTEMS, SILANE note: © 2011 American Physical Society abstract: Noble metals adopt close-packed structures at ambient pressure and rarely undergo structural transformation at high pressures. Platinum (Pt) is normally considered to be unreactive and is therefore not expected to form hydrides under pressure. We predict that platinum hydride (PtH) has a lower enthalpy than its constituents solid Pt and molecular hydrogen at pressures above 21.5 GPa. PtH transforms to a hexagonal close-packed or face-centered cubic (fcc) structure between 70 and 80 GPa. Linear response calculations indicate that PtH is a superconductor at these pressures with a critical temperature of about 10-25 K. These findings help to shed light on recent observations of pressure-induced metallization and superconductivity in hydrogen-rich materials. We show that the formation of fcc noble metal hydrides under pressure is common and examine the possibility of superconductivity in these materials. date: 2011-09-08 publisher: AMER PHYSICAL SOC official_url: http://dx.doi.org/10.1103/PhysRevLett.107.117002 vfaculties: VMPS oa_status: green language: eng primo: open primo_central: open_green article_type_text: Article verified: verified_batch elements_source: Web of Science elements_id: 306660 doi: 10.1103/PhysRevLett.107.117002 lyricists_name: Pickard, Christopher lyricists_id: CJPIC35 full_text_status: public publication: PHYS REV LETT volume: 107 number: 11 article_number: 117002 issn: 0031-9007 citation: Kim, DY; Scheicher, RH; Pickard, CJ; Needs, RJ; Ahuja, R; (2011) Predicted Formation of Superconducting Platinum-Hydride Crystals under Pressure in the Presence of Molecular Hydrogen. PHYS REV LETT , 107 (11) , Article 117002. 10.1103/PhysRevLett.107.117002 <https://doi.org/10.1103/PhysRevLett.107.117002>. Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/1304619/1/1304619.pdf