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Lattice dynamics, phase transitions and spin relaxation in [Fe(C5H5)2] PF6

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Abstract

The organometallic compound ferrocenium hexafluorophosphate, [Fe(C5H5)2] PF6, has been studied by Mössbauer spectroscopy in the past, mainly to determine the crystal structure at high temperatures. Here we present studies at 95 K to 305 K and analyze the spectra in terms of spin relaxation theory which yields accurately the hyperfine interaction parameters and the spin-spin and spin-lattice relaxation rates in this paramagnetic compound. The spectral area under the resonance curve yields the recoil free fraction and thus the mean square of the vibration amplitude <x2>. One observes a large discontinuity in the slope of <x2> versus T at ˜210 K, indicative of a phase transition. The analysis of the spectra proves that the quadrupole interaction is small but certainly negative, ½e2qQ = -0.12(2) mm/s, and causes the asymmetry observed in the spectra. The detailed analysis yields also, for the first time, the fluctuating effective magnetic hyperfine field, H eff = 180(50) kOe.

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Authors and Affiliations

  1. Racah Institute of Physics, The Hebrew University, Jerusalem, 91904, Israel

    R. H. Herber, I. Felner & I. Nowik

Authors
  1. R. H. Herber
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  2. I. Felner
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  3. I. Nowik
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Correspondence to I. Nowik.

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This article is part of the Topical Collection on Proceedings of the 2nd Mediterranean Conference on the Applications of the Mössbauer Effect (MECAME 2016), Cavtat, Croatia, 31 May-3 June 2016

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Herber, R.H., Felner, I. & Nowik, I. Lattice dynamics, phase transitions and spin relaxation in [Fe(C5H5)2] PF6 . Hyperfine Interact 237, 100 (2016). https://doi.org/10.1007/s10751-016-1310-9

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