Abstract
Atomic structures of crystalline (c-)HoFe2D3.6 and amorphous (a-)HoFe2D3.0 prepared by deuterium absorption of the C15 Laves phase compound HoFe2 were studied by X-ray and neutron diffraction techniques and these were compared with previous results for c- and a-TbFe2Dx. The structural parameters such as an interatomic distance and a coordination number are qualitatively in agreement with those for c- and a-TbFe2Dx. Namely, a marked difference was observed in the arrangement of metal atoms in a-HoFe 2D3.0 compared to that in c-HoFe2D 3.6 from interatomic distances and coordination numbers and there are clusters of Fe and Ho atoms in a-HoFe2Dx. RDF(r)s observed by the neutron diffraction indicated that the D atoms occupy tetrahedral sites consisting of 2Ho+2Fe in c-HoFe2D3.6, while the D atoms occupy selectively tetrahedral sites consisting mainly of Ho atoms in a-HoFe2D3.0 because of strong affinity between D and Ho atoms. The reverse Monte Carlo (RMC) modeling method was employed to visualize a three-dimensional atomic arrangement by using combined X-ray and neuron diffraction data of RFe2Dx (R: Ho, Tb). Chemical fluctuation was visually observed in the RMC configurations. Moreover, it was found that about 40% of the D atoms occupy sites consisting of 4R.
Original language | English |
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Pages (from-to) | 9-16 |
Number of pages | 8 |
Journal | Journal of Alloys and Compounds |
Volume | 376 |
Issue number | 1-2 |
DOIs | |
Publication status | Published - Aug 11 2004 |
Externally published | Yes |
Keywords
- Amorphization
- Metals
- Neutron diffraction
- X-ray diffraction
ASJC Scopus subject areas
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry