Journal
Article title
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Abstracts
The Mössbauer effect and ab initio investigations of an electric field gradient at ^{57}Fe nuclei in Pt_3Fe compound are presented. It is shown that nonzero ^{57}Fe electric field gradient exists in the cubic Pt_3Fe. Ab initio study of Pt_3Fe in antiferromagnetic state confirms the presence of electric field gradient at ^{57}Fe 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.
Discipline
- 71.20.-b: Electron density of states and band structure of crystalline solids
- 71.15.Ap: Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)
- 71.20.Lp: Intermetallic compounds
- 76.80.+y: Mössbauer effect; other γ-ray spectroscopy(see also 33.45.+x Mössbauer spectra—in atomic and molecular physics; for biophysical applications, see 87.64.kx; for chemical analysis applications, see 82.80.Ej)
- 71.20.Be: Transition metals and alloys
- 71.15.Nc: Total energy and cohesive energy calculations
- 75.50.Bb: Fe and its alloys
Journal
Year
Volume
Issue
Pages
197-199
Physical description
Dates
published
2009-01
Contributors
author
- Institute of Materials Science, University of Silesia, Bankowa 12, 40-007 Katowice, Poland
author
- Faculty of Physics, University of Białystok, 15-424 Białystok, Poland
author
- Faculty of Physics, University of Białystok, 15-424 Białystok, Poland
author
- Faculty of Physics, University of Białystok, 15-424 Białystok, Poland
author
- Faculty of Physics, University of Białystok, 15-424 Białystok, Poland
author
- Ks. Anny 7/54, 18-404 Łomża, Poland
author
- Faculty of Physics, University of Białystok, 15-424 Białystok, Poland
References
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- 8. D. Singh, Plane Waves, Pseudopotentials and the LAPW Method, Kluwer Academic, Boston 1994
- 9. M. Weinert, J. Math. Phys. 22, 2433 (1981)
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- 11. U.D. Wdowik, K. Ruebenbauer, Phys. Rev. 76, 155118 (2007)
Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv115n1052kz