, Volume 159, Issue 1-4, pp 351-356
Date: 11 Oct 2005

TDPAC Study of the Hydrogen Uptake Process in HfNi

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The electronic properties of the HfNi-hydrogen system has been investigated, as a function of the hydrogen composition ratio (x), using combined Time Differential Perturbed Angular Correlation (TDPAC) technique and standard full-potential Linearized-Augmented-Plane-Wave method. The experimental TDPAC data confirm the presence of a two-step hydrogenation process in this system, with the octahedral holes filled first. The major part of the electric field gradient at the hafnium site is from p–p contribution, shifted down in energy by hydrogen s-states contribution.