Nature of the Insulating Ground State of the 5d Postperovskite CaIrO3
DC Field | Value | Language |
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dc.contributor.author | Kim, Sun-Woo | - |
dc.contributor.author | Liu, Chen | - |
dc.contributor.author | Kim, Hyun-Jung | - |
dc.contributor.author | Lee, Jun-Ho | - |
dc.contributor.author | Yao, Yongxin | - |
dc.contributor.author | Ho, Kai-Ming | - |
dc.contributor.author | Cho, Jun Hyung | - |
dc.date.accessioned | 2022-07-07T04:14:08Z | - |
dc.date.available | 2022-07-07T04:14:08Z | - |
dc.date.created | 2021-05-12 | - |
dc.date.issued | 2015-08 | - |
dc.identifier.issn | 0031-9007 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/142943 | - |
dc.description.abstract | The insulating ground state of the 5d transition metal oxide CaIrO3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t(2g) states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t(2g) states to open an insulating gap. These results indicate that CaIrO3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.title | Nature of the Insulating Ground State of the 5d Postperovskite CaIrO3 | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Cho, Jun Hyung | - |
dc.identifier.doi | 10.1103/PhysRevLett.115.096401 | - |
dc.identifier.scopusid | 2-s2.0-84940759077 | - |
dc.identifier.wosid | 000360065900011 | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW LETTERS, v.115, no.9, pp.1 - 5 | - |
dc.relation.isPartOf | PHYSICAL REVIEW LETTERS | - |
dc.citation.title | PHYSICAL REVIEW LETTERS | - |
dc.citation.volume | 115 | - |
dc.citation.number | 9 | - |
dc.citation.startPage | 1 | - |
dc.citation.endPage | 5 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Physics, Multidisciplinary | - |
dc.subject.keywordPlus | SR2IRO4 | - |
dc.subject.keywordPlus | PHASE | - |
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