The hyperfine properties of iron-gallium alloys

• Published in: Hyperfine interactions 2016-12, Vol.237 (1), p.1-8, Article 8
• Main Authors: Elzain, M., Gismelseed, A., Al-Rawas, A., Yousif, A., Widatallah, H., Al-Azri, Maya, Al-Barwani, M.
• Format: Article
• Language: English
• Subjects: 13-18 September 2015; Atomic; Atomic properties; Atomic structure; Condensed Matter Physics; Ferrous alloys; Gallium; Gallium base alloys; Germany; Hadrons; Hamburg; Heavy Ions; Hyperfine structure; Mathematical analysis; Molecular; Mossbauer spectroscopy; Nuclear Physics; Optical and Plasma Physics; Physics; Physics and Astronomy; Proceedings of the International Conference on the Applications of the Mössbauer Effect (ICAME 2015); Properties (attributes); Surfaces and Interfaces; Thin Films; Unit cell
• ISSN: 0304-3843; 1572-9540
• DOI: 10.1007/s10751-016-1221-9

The hyperfine properties at Fe site in iron-gallium alloy are calculated using the full-potential linear-augmented-plane-waves method. We have calculated the Fermi contact field (B hf ) and isomer shift ( δ ) at the Fe site versus the number of neighbouring Ga atoms. We found that B hf decrease whereas δ increases with increasing number of neighbouring G atom. In addition we have calculated the hyperfine properties of FeGa system with DO 3 structure, where various distributions of 4 the Ga atoms in the conventional unit cell are considered (including the regular DO 3 structure). We found that the DO 3 structure has the lowest energy as compared to the other configurations. The two distinct A and D sites of the ordered DO 3 conventional unit cell have two distinct values for B hf and δ . On changing the atomic arrangement of the Ga atoms within the conventional unit cell, the configuration of the A site is maintained whereas that of the D site becomes imperfect. The contact magnetic hyperfine fields of the D-like sites in the imperfect structures are lower than that of the DO 3 D site.