Origin of enhanced chemical precompression in cerium hydride CeH9
DC Field | Value | Language |
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dc.contributor.author | Jeon, Hyunsoo | - |
dc.contributor.author | Wang, Chongze | - |
dc.contributor.author | Yi, Seho | - |
dc.contributor.author | Cho, Jun-Hyung | - |
dc.date.accessioned | 2022-07-07T14:34:52Z | - |
dc.date.available | 2022-07-07T14:34:52Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2020-10 | - |
dc.identifier.issn | 2045-2322 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/145025 | - |
dc.description.abstract | The rare-earth metal hydrides with clathrate structures have been highly attractive because of their promising high-T-c superconductivity at high pressure. Recently, cerium hydride CeH9 composed of Ce-encapsulated clathrate H cages was synthesized at much lower pressures of 80-100 GPa, compared to other experimentally synthesized rare-earth hydrides such as LaH10 and YH6. Based on density-functional theory calculations, we find that the Ce 5p semicore and 4f/5d valence states strongly hybridize with the H 1s state, while a transfer of electrons occurs from Ce to H atoms. Further, we reveal that the delocalized nature of Ce 4f electrons plays an important role in the chemical precompression of clathrate H cages. Our findings not only suggest that the bonding nature between the Ce atoms and H cages is characterized as a mixture of ionic and covalent, but also have important implications for understanding the origin of enhanced chemical precompression that results in the lower pressures required for the synthesis of CeH9. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | NATURE PORTFOLIO | - |
dc.title | Origin of enhanced chemical precompression in cerium hydride CeH9 | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Cho, Jun-Hyung | - |
dc.identifier.doi | 10.1038/s41598-020-73665-1 | - |
dc.identifier.scopusid | 2-s2.0-85092317601 | - |
dc.identifier.wosid | 000615371900011 | - |
dc.identifier.bibliographicCitation | SCIENTIFIC REPORTS, v.10, no.1, pp.1 - 6 | - |
dc.relation.isPartOf | SCIENTIFIC REPORTS | - |
dc.citation.title | SCIENTIFIC REPORTS | - |
dc.citation.volume | 10 | - |
dc.citation.number | 1 | - |
dc.citation.startPage | 1 | - |
dc.citation.endPage | 6 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | Y | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalWebOfScienceCategory | Multidisciplinary Sciences | - |
dc.subject.keywordPlus | SUPERCONDUCTING LANTHANUM | - |
dc.subject.keywordPlus | HYDROGEN | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.identifier.url | https://www.nature.com/articles/s41598-020-73665-1 | - |
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