Hyperfine Interaction Parameters in Fe28Al72: 57Fe Mössbauer Spectroscopy and Ab Initio Study |
| A. Hanc, J. Deniszczyk and J. Kansy
Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland |
| Full Text PDF |
| 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 Fe72Al28 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 57Fe atom are evaluated. Using these parameters the values of hyperfine magnetic field and isomers shift for the atomic configurations present in stoichiometric Fe3Al are estimated and compared with the results of ab initio calculations. |
| DOI: 10.12693/APhysPolA.121.1154 PACS numbers: 76.80.+y, 61.05.Qr, 71.20.-b |