Electronic Structure of the Kitaev Material α-RuCl 3 Probed by Photoemission and Inverse Photoemission Spectroscopies

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dc.contributor.authorSoobin Sinn-
dc.contributor.authorChoong Hyun Kim-
dc.contributor.authorBeom Hyun Kim-
dc.contributor.authorKyung Dong Lee-
dc.contributor.authorChoong Jae Won-
dc.contributor.authorJi Seop Oh-
dc.contributor.authorMoonsup Han-
dc.contributor.authorYoung Jun Chang-
dc.contributor.authorNamjung Hur-
dc.contributor.authorHitoshi Sato-
dc.contributor.authorByeong-Gyu Park-
dc.contributor.authorChangyoung Kim-
dc.contributor.authorHyeong-Do Kim-
dc.contributor.authorTae Won Noh-
dc.date.available2017-01-02T06:51:20Z-
dc.date.created2016-12-02-
dc.date.issued2016-12-
dc.identifier.issn2045-2322-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/3081-
dc.description.abstractRecently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl6 3− cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3. © The Author(s) 2016-
dc.languageENG-
dc.publisherNATURE PUBLISHING GROUP-
dc.titleElectronic Structure of the Kitaev Material α-RuCl 3 Probed by Photoemission and Inverse Photoemission Spectroscopies-
dc.typeArticle-
dc.type.rimsA-
dc.identifier.wosid000390322900001-
dc.identifier.scopusid2-s2.0-85007010046-
dc.description.wostc9-
dc.date.tcdate2018-10-01-
dc.date.scptcdate2018-10-01-
dc.contributor.affiliatedAuthorSoobin Sinn-
dc.contributor.affiliatedAuthorChangyoung Kim-
dc.contributor.affiliatedAuthorTae Won Noh-
dc.identifier.bibliographicCitationSCIENTIFIC REPORTS, v.6, no., pp.39544 --
dc.description.scptc10-
Appears in Collections:
Center for Correlated Electron Systems(강상관계 물질 연구단) > Journal Papers (저널논문)
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