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Title: Electronic and magnetic properties of double perovskite Dy{sub 2}MnCoO{sub 6} by first-principles calculation

Using first-principles calculation, we investigate electronic and magnetic properties of Dy{sub 2}MnCoO{sub 6}. A detailed structural optimization has been done and found that the orthorhombic structure with Mn (Co) ions aligning along the longest axis type is the most stable structure. Within the generalized gradient approximation, the spin polarized calculations predict Dy{sub 2}MnCoO{sub 6} to be a half-metallic with ferromagnetic interaction between Mn and Co ions and antiferromagnetic interaction between Dy and Mn/Co ions. We also investigate the effect of Hubbard parameter (U) on the ground state magnetic structure. For all values of Hubbard U parameter the Co ions have nonzero magnetic moment; they do not lie in low-spin state, as in DyCoO{sub 3}.
Authors:
;  [1]
  1. Low Temperature Physics Laboratory, Department of Physics, Indian Institute of Technology Madras, Chennai 600 036, Tamilnadu (India)
Publication Date:
OSTI Identifier:
22273942
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 17; Conference: 55. annual conference on magnetism and magnetic materials, Atlanta, GA (United States), 14-18 Nov 2010; Other Information: (c) 2014 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; COBALT IONS; COBALT OXIDES; DYSPROSIUM COMPOUNDS; ELECTRONIC STRUCTURE; FERROMAGNETISM; GROUND STATES; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MANGANESE COMPOUNDS; MANGANESE IONS; ORTHORHOMBIC LATTICES; PEROVSKITE; SPIN; SPIN ORIENTATION