| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9781671 | Journal of Physics and Chemistry of Solids | 2005 | 7 Pages |
Abstract
The changes in the electronic structure of Fe atoms near the vacancy were also analyzed. The interactions mainly involve Fe 3d and 4s atomic orbitals. The contribution of Fe p orbitals is much less important. The Fe-Fe bond weakened as new Fe-H and H-H pairs were formed. The effect of H atoms is limited to its first Fe neighbors. The detrimental effect of H atoms on the Fe-Fe bonds can be related to the mechanism for embrittlement in α-Fe.
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Physical Sciences and Engineering
Materials Science
Electronic, Optical and Magnetic Materials
Authors
S. Simonetti, C. Pistonesi, A. Juan, G. Brizuela,