Hyperfine Interactions of 57Fe in Pt3Fe - Ab Initio and Mössbauer Effect Studies |
| J. Deniszczyk a, D. Satuła b, J. Waliszewski b, K. Rećko b, W. Olszewski b, G. Parzych c and K. Szymański b
a Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland b Faculty of Physics, University of Białystok, 15-424 Białystok, Poland c Ks. Anny 7/54, 18-404 Łomża, Poland |
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| The Mössbauer effect and ab initio investigations of an electric field gradient at 57Fe nuclei in Pt3Fe compound are presented. It is shown that nonzero 57Fe electric field gradient exists in the cubic Pt3Fe. Ab initio study of Pt3Fe in antiferromagnetic state confirms the presence of electric field gradient at 57Fe nuclei. Lattice, local valence electron (3d, 4p) and weakly bound 3p core electron contributions to electric field gradient are separated out and discussed in the context of the electronic structure changes upon the antiferromagnetic phase transition. |
| DOI: 10.12693/APhysPolA.115.197 PACS numbers: 71.15.Ap, 71.15.Nc, 71.20.-b, 71.20.Be, 71.20.Lp, 75.50.Bb, 76.80.+y |