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High-pressure neutron diffraction study of BaFe 2 As 2

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  • J.-E. Jørgensen
  • T. C. Hansen

Abstract

The crystal structure of BaFe 2 As 2 was studied by high-pressure neutron powder diffraction in the pressure range from ambient to 6.5 GPa as well as in the temperature range from 12 K to 293 K at 4.4 GPa and no pressure or temperature induced phase changes were observed. The compression mechanism of BaFe 2 As 2 was found to be anisotropic as the a- and c-axes are reduced by 2.49 and 3.66%, respectively at 6.5 GPa. Within the FeAs layers the Fe-As and Fe-Fe bonds decrease by 2.49 and 3.66%, respectively. The Ba-As distance decreases by 3.70% while the As-As inter-atomic distance along the c-axis exhibits a complex pressure dependence. The bulk modulus B 0 and its pressure derivative B 0 ' were determined to be B 0 =59(2) GPa and B 0 '=6.1(7) at ambient temperature. Copyright EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg 2010

Suggested Citation

  • J.-E. Jørgensen & T. C. Hansen, 2010. "High-pressure neutron diffraction study of BaFe 2 As 2," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 78(4), pages 411-415, December.
    • Handle: RePEc:spr:eurphb:v:78:y:2010:i:4:p:411-415
    DOI: 10.1140/epjb/e2010-10522-1
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