Skip navigation
Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/18319
Title: Electronic structure and 3d-4f exchange interactions in zircon-type RCrO 4 oxides (R=Dy, Ho and Gd)
Authors: Ray A.
Maitra, Tulika
Chitra R.
Sahoo N.K.
Bhattacharyya D.
Published in: Proceedings of AIP Conference
Abstract: Using 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.
Citation: Proceedings of AIP Conference, (2015)
URI: https://doi.org/10.1063/1.4917997
http://repository.iitr.ac.in/handle/123456789/18319
Issue Date: 2015
Publisher: American Institute of Physics Inc.
Keywords: DFT
GGA+U
Zircon phase
ISBN: 9.78074E+12
ISSN: 0094243X
Author Scopus IDs: 57213109680
7004183343
Author Affiliations: Ray, A., Department of Physics, Indian Institute of Technology, Roorke, Roorkee, Uttarakhand, 247667, India
Maitra, T., Department of Physics, Indian Institute of Technology, Roorke, Roorkee, Uttarakhand, 247667, India
Appears in Collections:Conference Publications [PH]

Files in This Item:
There are no files associated with this item.
Show full item record


Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.