Quasielastic neutron scattering study of hydrogen motion in C15-type TaV2Hx

A. V. Skripov, J. C. Cook, D. S. Sibirtsev, C. Karmonik, R. Hempelmann

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64 Scopus citations


In order to clarify the mechanism of hydrogen diffusion in cubic Laves phase TaV2, we have performed high-resolution quasielastic neutron scattering measurements on TaV2Hx (x = 0.6 and 1.1) in the temperature range 10-320 K. It is found that the diffusive motion of hydrogen in this system can be described in terms of two jump processes: the fast localized H motion within hexagons formed by interstitial g (Ta2V2) sites and the slower hopping from one hexagon to the other. This model is also supported by neutron diffraction measurements showing that the sublattice of g sites in TaV2Dx is split into hexagons well separated from each other. The behaviour of the elastic incoherent structure factor for TaV2Hx suggests that only a fraction of the H atoms participate in the fast localized motion, and this fraction increases with temperature. Comparison of the properties of TaV2Hx and other Laves phase hydrides with g-site occupation shows a clear correlation between the parameters of the two jump processes and the g-g distances r1 (within the hexagons) and r2 (between different hexagons).

Original languageEnglish (US)
Pages (from-to)1787-1801
Number of pages15
JournalJournal of Physics Condensed Matter
Issue number8
StatePublished - Mar 2 1998

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics


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