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