Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor.
dc.contributor.author | Xie, Hui | |
dc.contributor.author | Yao, Yansun | |
dc.contributor.author | Feng, Xiaolei | |
dc.contributor.author | Duan, Defang | |
dc.contributor.author | Song, Hao | |
dc.contributor.author | Zhang, Zihan | |
dc.contributor.author | Jiang, Shuqing | |
dc.contributor.author | Redfern, Simon | |
dc.contributor.author | Kresin, Vladimir Z | |
dc.contributor.author | Pickard, Christopher | |
dc.contributor.author | Cui, Tian | |
dc.date.accessioned | 2020-09-23T23:30:22Z | |
dc.date.available | 2020-09-23T23:30:22Z | |
dc.date.issued | 2020-11-20 | |
dc.identifier.issn | 0031-9007 | |
dc.identifier.uri | https://www.repository.cam.ac.uk/handle/1810/310633 | |
dc.description.abstract | The recent discovery of H_{3}S and LaH_{10} superconductors with record high superconducting transition temperatures T_{c} at high pressure has fueled the search for room-temperature superconductivity in the compressed superhydrides. Here we introduce a new class of high T_{c} hydrides with a novel structure and unusual properties. We predict the existence of an unprecedented hexagonal HfH_{10}, with remarkably high value of T_{c} (around 213-234 K) at 250 GPa. As concerns the novel structure, the H ions in HfH_{10} are arranged in clusters to form a planar "pentagraphenelike" sublattice. The layered arrangement of these planar units is entirely different from the covalent sixfold cubic structure in H_{3}S and clathratelike structure in LaH_{10}. The Hf atom acts as a precompressor and electron donor to the hydrogen sublattice. This pentagraphenelike H_{10} structure is also found in ZrH_{10}, ScH_{10}, and LuH_{10} at high pressure, each material showing a high T_{c} ranging from 134 to 220 K. Our study of dense superhydrides with pentagraphenelike layered structures opens the door to the exploration of a new class of high T_{c} superconductors. | |
dc.format.medium | ||
dc.language | eng | |
dc.publisher | American Physical Society (APS) | |
dc.rights | All rights reserved | |
dc.title | Hydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor. | |
dc.type | Article | |
prism.issueIdentifier | 21 | |
prism.publicationDate | 2020 | |
prism.publicationName | Phys Rev Lett | |
prism.startingPage | 217001 | |
prism.volume | 125 | |
dc.identifier.doi | 10.17863/CAM.57731 | |
dcterms.dateAccepted | 2020-09-21 | |
rioxxterms.versionofrecord | 10.1103/PhysRevLett.125.217001 | |
rioxxterms.version | AM | |
rioxxterms.licenseref.uri | http://www.rioxx.net/licenses/all-rights-reserved | |
rioxxterms.licenseref.startdate | 2020-11 | |
dc.contributor.orcid | Redfern, Simon [0000-0001-9513-0147] | |
dc.contributor.orcid | Pickard, Christopher [0000-0002-9684-5432] | |
dc.identifier.eissn | 1079-7114 | |
rioxxterms.type | Journal Article/Review | |
pubs.funder-project-id | Royal Society (WM150023) | |
pubs.funder-project-id | Engineering and Physical Sciences Research Council (EP/P022596/1) | |
cam.issuedOnline | 2020-11-16 | |
cam.orpheus.success | Mon Dec 07 07:31:31 GMT 2020 - Embargo updated | |
cam.orpheus.counter | 14 | |
rioxxterms.freetoread.startdate | 2020-11-16 |
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