Powder neutron diffraction analysis and magnetic structure of kagomé-type vanadium jarosite NaV3(OD)6(SO4)2

Daniel Grohol, Qingzhen Huang, Brian H. Toby, Jeffrey W. Lynn, Young S. Lee, and Daniel G. Nocera
Phys. Rev. B 68, 094404 – Published 5 September 2003
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Abstract

Neutron and x-ray diffraction experiments were performed on pure, deuterated samples of the vanadium jarosite compound, NaV3(OD)6(SO4)2, to investigate its structure and magnetism. The crystal structure was refined using combined single-crystal x-ray and powder neutron diffraction methods. To determine the magnetic structure, neutron powder diffraction measurements were performed at 217 and 16 K. Analysis of the data reveals that the unpaired spins located on the V3+ ions couple ferromagnetically within the V3(OD)6(SO4)2 triangles of the Kagomé layers with the spins oriented parallel to the layers. Spins in adjacent layers order antiferromagnetically. The temperature dependence of magnetic diffraction peak intensities yields a zero-field critical transition temperature of Tc=34.3(5)K. The intralayer ferromagnetic interaction propagates along the Kagomé lattice via the π-symmetry orbitals of a -[V3+ODV3+]- pathway.

  • Received 2 October 2002

DOI:https://doi.org/10.1103/PhysRevB.68.094404

©2003 American Physical Society

Authors & Affiliations

Daniel Grohol1, Qingzhen Huang2, Brian H. Toby2, Jeffrey W. Lynn2, Young S. Lee3,*, and Daniel G. Nocera1,†

  • 1Department of Chemistry, Massachusetts Institute of Technology 6-335, Cambridge, Massachusetts 02139, USA
  • 2NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA
  • 3Department of Physics, Massachusetts Institute of Technology 13-2153, Cambridge, Massachusetts 02139, USA

  • *One of the authors to whom correspondence should be addressed. Electronic address: younglee@mit.edu
  • One of the authors to whom correspondence should be addressed. Electronic address: nocera@mit.edu

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Vol. 68, Iss. 9 — 1 September 2003

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