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Title: Electronic structure and 3d-4f exchange interactions in zircon-type RCrO{sub 4} oxides (R=Dy, Ho and Gd)

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{sub 4} (R= Dy, Ho, Gd) oxides. We estimated and compared the 3d-4f exchange interaction strengths J between the nearest neighbor R{sup 3+} and Cr{sup 5+} ions for R=Dy, Gd. Our results predict that DyCrO{sub 4}, GdCrO{sub 4} and HoCrO{sub 4} have ferromagnetic ground state which is consistent with experimental observations.
Authors:
;  [1]
  1. Department of Physics, Indian Institute of Technology, Roorke, Roorkee – 247667, Uttarakhand (India)
Publication Date:
OSTI Identifier:
22490446
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIFERROMAGNETISM; APPROXIMATIONS; ATOMIC FORCE MICROSCOPY; CHROMATES; CHROMIUM IONS; COMPARATIVE EVALUATIONS; DENSITY FUNCTIONAL METHOD; DYSPROSIUM COMPOUNDS; ELECTRONIC STRUCTURE; EXCHANGE INTERACTIONS; FERROMAGNETIC MATERIALS; FERROMAGNETISM; GADOLINIUM COMPOUNDS; GROUND STATES; HOLMIUM COMPOUNDS; ZIRCON