Strain and spin-orbit coupling induced orbital ordering in the Mott insulator BaCrO3
DC Field | Value | Language |
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dc.contributor.author | Jin, Hyo-Sun | - |
dc.contributor.author | Ahn, Kyo-Hoon | - |
dc.contributor.author | Jung, Myung-Chul | - |
dc.contributor.author | Lee, K. -W. | - |
dc.date.accessioned | 2021-09-05T02:54:41Z | - |
dc.date.available | 2021-09-05T02:54:41Z | - |
dc.date.created | 2021-06-15 | - |
dc.date.issued | 2014-11-18 | - |
dc.identifier.issn | 1098-0121 | - |
dc.identifier.uri | https://scholar.korea.ac.kr/handle/2021.sw.korea/96755 | - |
dc.description.abstract | Using ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO3 with a formal 3d(2) configuration, the volume of which is apparently substantially enhanced by a strain due to SrTiO3 substrate. Inclusion of both correlation and spin-orbit coupling (SOC) effects leads to a metal-insulator transition and in-plane zigzag orbital ordering (OO) of alternating singly filled d(xz) + id(yz) and d(xz) - id(yz) orbitals, which results in a large orbital moment M-L approximate to -0.78 mu(B) antialigned to the spin moment M-S approximate to 2 vertical bar M-L vertical bar in Cr ions. Remarkably, this ordering also induces a considerable M-L for apical oxygens. Our findings show metal-insulator and OO transitions, driven by an interplay among strain, correlation, and SOC, which is uncommon in 3d systems. | - |
dc.language | English | - |
dc.language.iso | en | - |
dc.publisher | AMER PHYSICAL SOC | - |
dc.subject | ELECTRONIC-STRUCTURE | - |
dc.subject | OXIDE INTERFACES | - |
dc.subject | SUPERCONDUCTIVITY | - |
dc.subject | SRTIO3 | - |
dc.subject | FILMS | - |
dc.subject | NIO | - |
dc.title | Strain and spin-orbit coupling induced orbital ordering in the Mott insulator BaCrO3 | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Lee, K. -W. | - |
dc.identifier.doi | 10.1103/PhysRevB.90.205124 | - |
dc.identifier.scopusid | 2-s2.0-84911413054 | - |
dc.identifier.wosid | 000345247100003 | - |
dc.identifier.bibliographicCitation | PHYSICAL REVIEW B, v.90, no.20 | - |
dc.relation.isPartOf | PHYSICAL REVIEW B | - |
dc.citation.title | PHYSICAL REVIEW B | - |
dc.citation.volume | 90 | - |
dc.citation.number | 20 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURE | - |
dc.subject.keywordPlus | OXIDE INTERFACES | - |
dc.subject.keywordPlus | SUPERCONDUCTIVITY | - |
dc.subject.keywordPlus | SRTIO3 | - |
dc.subject.keywordPlus | FILMS | - |
dc.subject.keywordPlus | NIO | - |
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