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dc.contributor.authorSetayandeh, SS
dc.contributor.authorWebb, CJ
dc.contributor.authorGray, E Mac A
dc.date.accessioned2021-01-14T06:05:57Z
dc.date.available2021-01-14T06:05:57Z
dc.date.issued2020
dc.identifier.issn0079-6786
dc.identifier.doi10.1016/j.progsolidstchem.2020.100285
dc.identifier.urihttp://hdl.handle.net/10072/401078
dc.description.abstractPalladium hydride was discovered more than 150 years ago and remains one of the most-studied interstitial metal hydrides because of the richness of its physical behaviours, which include ordered phases and anomalous properties at temperatures below 100 K, a superabundant-vacancy (SAV) phase with stoichiometry Pd3H4 formed at high temperature and pressure, and quenching of the enhanced Pauli paramagnetism of palladium. One of the most fascinating properties of palladium hydride is superconductivity at about 10 K without external pressure, in contrast to the newly-discovered polyhydride room-temperature superconductors that require megabar pressures. Moreover, the superconductivity exhibits an inverse isotope effect. Remarkably, modern first-principles approaches are unable to accurately predict the superconducting transition temperature by calculating the electron–phonon coupling constant within Migdal-Eliashberg theory. Anharmonicity of the hydrogen site potential is a key factor and poses a great challenge, since most theoretical approaches are based on the harmonic approximation. This review focuses on the electron and phonon band structures that underpin all such calculations, with palladium as a reference point. While the electron band structures of palladium and its monohydride are uncontroversial, the phonon band structure of palladium hydride in particular is problematic, with a realistic treatment of anharmonicity required – and largely yet to be achieved – to reproduce the results of inelastic neutron scattering experiments. In addition to the monohydride and SAV phases, possible higher hydrides are surveyed and the origin of the famous “50-K” anomaly in specific heat and other physical properties is critically reviewed.
dc.description.peerreviewedYes
dc.languageEnglish
dc.publisherElsevier
dc.relation.ispartofpagefrom100285
dc.relation.ispartofjournalProgress in Solid State Chemistry
dc.relation.ispartofvolume60
dc.subject.fieldofresearchCondensed matter physics
dc.subject.fieldofresearchInorganic chemistry
dc.subject.fieldofresearchMacromolecular and materials chemistry
dc.subject.fieldofresearchcode5104
dc.subject.fieldofresearchcode3402
dc.subject.fieldofresearchcode3403
dc.subject.keywordsScience & Technology
dc.subject.keywordsPhysical Sciences
dc.subject.keywordsPalladium
dc.subject.keywordsNuclear
dc.titleElectron and phonon band structures of palladium and palladium hydride: A review
dc.typeJournal article
dc.type.descriptionC1 - Articles
dcterms.bibliographicCitationSetayandeh, SS; Webb, CJ; Gray, EMA, Electron and phonon band structures of palladium and palladium hydride: A review, Progress in Solid State Chemistry, 2020, 60, pp. 100285
dc.date.updated2021-01-14T04:34:42Z
gro.hasfulltextNo Full Text
gro.griffith.authorGray, Evan M.


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