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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/18349
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dc.contributor.authorRay A.-
dc.contributor.authorMaitra, Tulika-
dc.contributor.editorSingh S.-
dc.contributor.editorBasu S.-
dc.contributor.editorBhattacharya S.-
dc.contributor.editorDas A.-
dc.date.accessioned2020-12-03T03:43:45Z-
dc.date.available2020-12-03T03:43:45Z-
dc.date.issued2017-
dc.identifier.citationProceedings of AIP Conference, (2017)-
dc.identifier.isbn9.78074E+12-
dc.identifier.issn0094243X-
dc.identifier.urihttps://doi.org/10.1063/1.4980570-
dc.identifier.urihttp://repository.iitr.ac.in/handle/123456789/18349-
dc.description.abstractUsing first principles density functional theory (DFT) calculations within GGA+U approximations we studied both zircon and scheelite phases of GdCrO4 system. We observed that the characteristics of transport gap in zircon and scheelite phase are quite different. In the framework of zaanen-sawatsky-Allen (ZSA) phase diagram, the GdCrO4 in zircon phase behaves like a charge transfer insulator while the scheelite phase behaves likes a Mott-Hubbard insulator. © 2017 Author(s).-
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.subjectcharge transfer insulator-
dc.subjectDFT-
dc.subjectGGA+U-
dc.subjectMott-Hubbard insulator-
dc.titleFirst principles study of transport gap in zircon and scheelite type of GdCrO4-
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.conferencedetails61st DAE Solid State Physics Symposium, 26-30 December 2016-
Appears in Collections:Conference Publications [PH]

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