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dc.contributor.authorXie, Hui
dc.contributor.authorYao, Yansun
dc.contributor.authorFeng, Xiaolei
dc.contributor.authorDuan, Defang
dc.contributor.authorSong, Hao
dc.contributor.authorZhang, Zihan
dc.contributor.authorJiang, Shuqing
dc.contributor.authorRedfern, Simon
dc.contributor.authorKresin, Vladimir Z
dc.contributor.authorPickard, Christopher
dc.contributor.authorCui, Tian
dc.date.accessioned2020-09-23T23:30:22Z
dc.date.available2020-09-23T23:30:22Z
dc.date.issued2020-11-20
dc.identifier.issn0031-9007
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/310633
dc.description.abstractThe 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.mediumPrint
dc.languageeng
dc.publisherAmerican Physical Society (APS)
dc.rightsAll rights reserved
dc.titleHydrogen Pentagraphenelike Structure Stabilized by Hafnium: A High-Temperature Conventional Superconductor.
dc.typeArticle
prism.issueIdentifier21
prism.publicationDate2020
prism.publicationNamePhys Rev Lett
prism.startingPage217001
prism.volume125
dc.identifier.doi10.17863/CAM.57731
dcterms.dateAccepted2020-09-21
rioxxterms.versionofrecord10.1103/PhysRevLett.125.217001
rioxxterms.versionAM
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.licenseref.startdate2020-11
dc.contributor.orcidRedfern, Simon [0000-0001-9513-0147]
dc.contributor.orcidPickard, Christopher [0000-0002-9684-5432]
dc.identifier.eissn1079-7114
rioxxterms.typeJournal Article/Review
pubs.funder-project-idRoyal Society (WM150023)
pubs.funder-project-idEngineering and Physical Sciences Research Council (EP/P022596/1)
cam.issuedOnline2020-11-16
cam.orpheus.successMon Dec 07 07:31:31 GMT 2020 - Embargo updated
cam.orpheus.counter14
rioxxterms.freetoread.startdate2020-11-16


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