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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/18319
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dc.contributor.authorRay A.-
dc.contributor.authorMaitra, Tulika-
dc.contributor.editorChitra R.-
dc.contributor.editorSahoo N.K.-
dc.contributor.editorBhattacharyya D.-
dc.date.accessioned2020-12-03T03:43:42Z-
dc.date.available2020-12-03T03:43:42Z-
dc.date.issued2015-
dc.identifier.citationProceedings of AIP Conference, (2015)-
dc.identifier.isbn9.78074E+12-
dc.identifier.issn0094243X-
dc.identifier.urihttps://doi.org/10.1063/1.4917997-
dc.identifier.urihttp://repository.iitr.ac.in/handle/123456789/18319-
dc.description.abstractUsing first principles density functional theory (DFT) calculations within GGA and GGA+U approximations we studied both ferromagnetic (FM) and antiferromagnetic (AFM) phases of zircon type RCrO 4 (R= Dy, Ho, Gd) oxides. We estimated and compared the 3d-4f exchange interaction strengths J between the nearest neighbor R 3+ and Cr 5+ ions for R=Dy, Gd. Our results predict that DyCrO 4 , GdCrO 4 and HoCrO 4 have ferromagnetic ground state which is consistent with experimental observations. © 2015 AIP Publishing LLC.-
dc.description.sponsorshipDepartment of Atomic Energy (DAE), Board of Research in Nuclear Sciences (BRNS)-
dc.language.isoen_US-
dc.publisherAmerican Institute of Physics Inc.-
dc.relation.ispartofProceedings of AIP Conference-
dc.subjectDFT-
dc.subjectGGA+U-
dc.subjectZircon phase-
dc.titleElectronic structure and 3d-4f exchange interactions in zircon-type RCrO 4 oxides (R=Dy, Ho and Gd)-
dc.typeConference Paper-
dc.scopusid57213109680-
dc.scopusid7004183343-
dc.affiliationRay, A., Department of Physics, Indian Institute of Technology, Roorke, Roorkee, Uttarakhand, 247667, India-
dc.affiliationMaitra, T., Department of Physics, Indian Institute of Technology, Roorke, Roorkee, Uttarakhand, 247667, India-
dc.identifier.conferencedetails59th DAE Solid State Physics Symposium, SSPS 2014, 16-20 December 2014-
Appears in Collections:Conference Publications [PH]

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