Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 351-356 |
| Number of pages | 6 |
| Journal | Hyperfine Interactions |
| Volume | 159 |
| Issue number | 1-4 |
| DOIs | |
| State | Published - 1 Dec 2004 |
| Externally published | Yes |
Keywords
- Hydrogen
- Hyperfine interaction
- LAPW
- TDPAC
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Nuclear and High Energy Physics
- Condensed Matter Physics
- Physical and Theoretical Chemistry