Hyperfine Interactions of ^{57}Fe in Pt_3Fe - Ab Initio and Mössbauer Effect Studies

• Authors: J. Deniszczyk , D. Satuła , J. Waliszewski , K. Rećko , W. Olszewski , G. Parzych , K. Szymański
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

71.15.Ap; 71.15.Nc; 71.20.-b; 71.20.Be; 71.20.Lp; 75.50.Bb; 76.80.+y

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: Acta Physica Polonica A
• Year: 2009
• Volume: 115
• Issue: 1
• Pages: 197-199

Dates

published

2009-01

Contributors

author

J. Deniszczyk

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

author

D. Satuła

• Faculty of Physics, University of Białystok, 15-424 Białystok, Poland

author

J. Waliszewski

• Faculty of Physics, University of Białystok, 15-424 Białystok, Poland

author

K. Rećko

• Faculty of Physics, University of Białystok, 15-424 Białystok, Poland

author

W. Olszewski

• Faculty of Physics, University of Białystok, 15-424 Białystok, Poland

author

G. Parzych

• Ks. Anny 7/54, 18-404 Łomża, Poland

author

K. Szymański

• Faculty of Physics, University of Białystok, 15-424 Białystok, Poland

References

• 1. J. Crangle, J. Phys. (France) 20, 435 (1959)
• 2. G.E. Bacon, J. Crangle, Proc. R. Soc. A 272, 387 (1963)
• 3. S. Yano, Y. Tsunoda, J. Magn. Magn. Mater. 319, 1841 (2007)
• 4. P. Steinbach, R.A. Brand, W. Keune, J. Magn. Magn. Mater. 70, 102 (1987)
• 5. M. Podgórny, Phys. Rev. B 43, 11300 (1991)
• 6. K. Schwarz, P. Blaha, G.K.H. Madsen, Comp. Phys. Commun. 147, 71 (2002)
• 7. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
• 8. D. Singh, Plane Waves, Pseudopotentials and the LAPW Method, Kluwer Academic, Boston 1994
• 9. M. Weinert, J. Math. Phys. 22, 2433 (1981)
• 10. P. Blaha, K. Schwarz, P.B. Dederichs, Phys. Rev. B 37, 2792 (1988)
• 11. U.D. Wdowik, K. Ruebenbauer, Phys. Rev. 76, 155118 (2007)

Identifiers

DOI

10.12693/APhysPolA.115.197