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DC Field | Value | Language |
---|---|---|
dc.citation.number | 19 | - |
dc.citation.startPage | 196406 | - |
dc.citation.title | PHYSICAL REVIEW LETTERS | - |
dc.citation.volume | 126 | - |
dc.contributor.author | Shin, Dongbin | - |
dc.contributor.author | Tancogne-Dejean, Nicolas | - |
dc.contributor.author | Zhang, Jin | - |
dc.contributor.author | Okyay, Mahmut Sait | - |
dc.contributor.author | Rubio, Angel | - |
dc.contributor.author | Park, Noejung | - |
dc.date.accessioned | 2023-12-21T15:49:20Z | - |
dc.date.available | 2023-12-21T15:49:20Z | - |
dc.date.created | 2021-06-11 | - |
dc.date.issued | 2021-05 | - |
dc.description.abstract | We investigate the low-temperature charge density wave (CDW) state of bulk TaS2 with a fully self-consistent density-functional theory with the Hubbard U potential, over which the controversy has remained unresolved regarding the out-of-plane metallic band. By examining the innate structure of the Hubbard U potential, we reveal that the conventional use of atomic-orbital basis could seriously misevaluate the electron correlation in the CDW state. By adopting a generalized basis, covering the whole David star, we successfully reproduce the Mott insulating nature with the layer-by-layer antiferromagnetic order. Similar consideration should be applied for description of the electron correlation in molecular solid. | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW LETTERS, v.126, no.19, pp.196406 | - |
dc.identifier.doi | 10.1103/PhysRevLett.126.196406 | - |
dc.identifier.issn | 0031-9007 | - |
dc.identifier.scopusid | 2-s2.0-85106358343 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/53050 | - |
dc.identifier.url | https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.126.196406 | - |
dc.identifier.wosid | 000652838800004 | - |
dc.language | 영어 | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.title | Identification of the Mott Insulating Charge Density Wave State in 1T-TaS2 | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Physics, Multidisciplinary | - |
dc.relation.journalResearchArea | Physics | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | FUNCTIONAL THEORY | - |
dc.subject.keywordPlus | ELECTRON-GAS | - |
dc.subject.keywordPlus | HUBBARD-U | - |
dc.subject.keywordPlus | LOCALIZATION | - |
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