Influence of Cr doping on the magnetic structure of the FeAs-strips compound CaFe4As3: A single-crystal neutron diffraction study

P. Manuel, L. C. Chapon, G. Trimarchi, I. S. Todorov, D. Y. Chung, B. Ouladdiaf, M. J. Gutmann, A. J. Freeman, M. G. Kanatzidis

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Abstract

We have studied the magnetic structure of a Cr-doped iron-arsenide compound CaFe4As3 by means of single crystal neutron diffraction. The neutron data reveal that below 90 K, an antiferromagnetic structure with propagation vector k=0 is adopted. Refinement of the magnetic structure using one of the modes allowed by symmetry analysis indicates that two of the four Fe sites, including the one where the selective substitution Fe/Cr happens, bear reduced magnetic moments. Density functional theory calculations confirm the stability of such a magnetic arrangement.

Original languageEnglish
Article number104414
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume88
Issue number10
DOIs
Publication statusPublished - Sep 17 2013

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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