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Number of results
2012 | 121 | 5-6 | 1154-1155

Article title

Hyperfine Interaction Parameters in Fe_{28}Al_{72}: ^{57}Fe Mössbauer Spectroscopy and Ab Initio Study

Content

Title variants

Languages of publication

EN

Abstracts

EN
The paper discusses a theoretical model that associates the shape of the Mössbauer spectrum with the configuration of atoms in local surroundings of the Mössbauer nuclide. Using the model we analyse the Mössbauer spectra of Fe_{72}Al_{28} alloys after various heat treatments. Basing on the model calculations the hyperfine structure parameters describing an effect of an Al atom in the first and the second coordination shell of ^{57}Fe atom are evaluated. Using these parameters the values of hyperfine magnetic field and isomers shift for the atomic configurations present in stoichiometric Fe_3Al are estimated and compared with the results of ab initio calculations.

Keywords

EN

Contributors

author
  • Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland
author
  • Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland
author
  • Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland

References

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  • 3. D. Bandyopahyay, S. Suwas, R.N. Singru, S. Bhargava, J. Matter. Sci. 33, 109 (1998)
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  • 5. S.M. Dubiel, W. Zinn, J. Magn. Magn. Mater. 45, 298 (1984)
  • 6. A. Błachowski, K. Ruebenbauer, J. Żukrowski, Nukleonika 49, 67 (2004)
  • 7. Electronic structure calculations of solids using the WIEN2k package for material science, K. Schwarz, P. Blaha, G.K.H. Madsen, Comp. Phys. Commun. 147, 71 (2002)
  • 8. D. Singh, Plane Waves, Pseudopotentials and the LAPW Method, Kluwer Academic, Boston 1994
  • 9. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
  • 10. S. Blügel, H. Akai, R. Zeller, P.H. Dederichs, Phys. Rev. B 35, 3271 (1987)
  • 11. O. Kubashewski, Iron-Binary Phase Diagrams, Springer-Verlag, Berlin 1982, p. 5

Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.bwnjournal-article-appv121n5-6p49kz
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