| Issue |
Europhys. Lett.
Volume 64, Number 3, November 2003
|
|
|---|---|---|
| Page(s) | 344 - 350 | |
| Section | Condensed matter: structure, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2003-00187-x | |
| Published online | 01 December 2003 | |
Tetrahedral occupancy in the 
-
system observed by in situ neutron powder
diffraction
School of Science, Griffith University - Brisbane 4111, Australia
Corresponding author: E.Gray@griffith.edu.au
Received:
16
April
2003
Accepted:
29
August
2003
The crystallography of the -x system has
been studied by in situ neutron powder diffraction at
309
, in the supercritical region, and, after
quenching in the pure β phase to 50, in the
two-phase region at 50. Rietveld profile analysis
of the supercritical diffraction patterns showed that 14% of D
interstitials were occupying tetrahedral interstices, in sharp
contrast to previous studies at lower temperatures. Tetrahedral
occupancy was maintained through the two-phase region at
50. These results are discussed in the light of
first-principles total-energy calculations of hydrogen states in
palladium.
PACS: 61.50.Ks – Crystallographic aspects of phase transformations; pressure effects / 61.72.Dd – Experimental determination of defects by diffraction and scattering / 61.72.Ji – Point defects (vacancies, interstitials, color centers, etc.) and defect clusters
© EDP Sciences, 2003
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