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Hydrogen Dynamics in Laves-Phase Hydride YFe2H2.6: Inelastic and Quasielastic Neutron Scattering Studies



A. V. Skripov, V. Paul-Bancour, Terrence J. Udovic, John J. Rush


The vibrational spectrum of hydrogen and the parameters of H jump motion in the C15-type compound YFe2H2.6 have been studied by means of inelastic and quasielastic neutron scattering. It is found that hydrogen atoms occupying tetrahedral interstitial g (Y2Fe2) sites participate in the fast localized jump motion. The behavior of the elastic incoherent structure factor as a function of momentum transfer (measured up to Qmax ≅4 Å-1) is consistent with the two-site motion of H atoms within pairs of closely spaced g sites. In the studied T range of 140 K to 390 K, the temperature dependence of the jump rate of this localized motion is found to be non-Arrhenius; however, it can be described by two Arrhenius-like terms with the activation energies of 42 meV and 10 meV in the ranges 295 K to 390 K and 140 K to 240 K, respectively. Our results also indicate that hydrogen dynamics in YFe2H2.6 is affected by considerable local lattice distortions resulting from hydrogenation of YFe2.
Journal of Alloys and Compounds


dynamics, hydrogen, Laves phase, localized motion, metal hydride, neutron scattering, neutron vibrational spectroscopy, quasielastic neutron scattering, ZrFe2


Skripov, A. , Paul-Bancour, V. , Udovic, T. and Rush, J. (2014), Hydrogen Dynamics in Laves-Phase Hydride YFe<sub>2</sub>H<sub>2.6</sub>: Inelastic and Quasielastic Neutron Scattering Studies, Journal of Alloys and Compounds, [online], (Accessed April 18, 2024)
Created May 14, 2014, Updated October 12, 2021