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dc.contributor.authorDey D.-
dc.contributor.authorMaitra, Tulika-
dc.contributor.authorTaraphder A.-
dc.contributor.editorChitra R.-
dc.contributor.editorBhattacharya S.-
dc.contributor.editorSahoo N.K.-
dc.identifier.citationProceedings of AIP Conference, (2016)-
dc.description.abstractUsing density functional theory calculations, we have investigated the orbital ordering in Fe0.5Mn0.5V2O4 where Fe and V sites are orbitally active. Our first principles study within GGA+U and GGA+U+SO shows ferro-orbital ordering of dx2-y2 orbital at all Fe sites, whereas A-type antiferro-orbital ordering at V sites where one 3d electron occupies dxy orbital at every V site and another electron occupies either 1/v2 (dxz + dyz) or 1/v2 (dxz - dyz) orbital alternatively along c axis. Insulating nature and the orbital ordering of this compound are found to be correlation driven while the effect of spin-orbit interaction on orbital ordering is not significant. © 2016 Author(s).-
dc.description.sponsorshipDepartment of Atomic Energy (DAE), Board of Research in Nuclear Sciences (BRNS)-
dc.publisherAmerican Institute of Physics Inc.-
dc.relation.ispartofProceedings of AIP Conference-
dc.subjectOrbital order-
dc.subjectVanadium spinel-
dc.titleFerro and antiferro orbital ordering in Fe0.5Mn0.5V2O4-
dc.typeConference Paper-
dc.affiliationDey, D., Department of Physics, Indian Institute of Technology, Kharagpur, 721302, India-
dc.affiliationMaitra, T., Department of Physics, Indian Institute of Technology, Roorkee, 247667, India-
dc.affiliationTaraphder, A., Department of Physics, Indian Institute of Technology, Kharagpur, 721302, India-
dc.identifier.conferencedetails60th DAE Solid State Physics Symposium 2015, 21-25 December 2015-
Appears in Collections:Conference Publications [PH]

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