Advertisement

Hyperfine Interactions

, Volume 184, Issue 1–3, pp 45–50 | Cite as

Effect of vanadium neighbors on the hyperfine properties of iron–vanadium alloys

  • M. Elzain
  • A. Yousif
  • A. Gismelseed
  • A. Al Rawas
  • H. Widatallah
  • K. Bouziane
  • I. Al-Omari
Article
  • 35 Downloads

Abstract

The electronic and magnetic structures of Fe–V alloys are calculated using the discrete-variational and full-potential linearized-augmented-plane wave methods. The derived hyperfine properties at Fe sites are studied against the number of Fe atoms in the neighbouring shells. As expected the magnetic hyperfine field depends strongly on the number of Fe atoms in the first and second shells of neighbours while its dependence on the variation of atoms in the third shell is weak. The calculated distribution of the magnetic hyperfine fields at the Fe sites, are compared to the experimental data of Krause et al. (Phys Rev B 61:6196–6204, 2000). The contact charge densities and the magnetic moments are also calculated. It was found that the contact charge density increases with increasing V contents and this leads to negative isomer shift on addition of V.

Keywords

Sigma Phase Local Moment Local Magnetic Moment Versus Atom Versus Concentration 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Ziller, T., Le Caer, G., Isnard, P., Genedese, P., Fultz, B.: Metastable and transient states of chemical ordering in Fe–V nanocrystalline alloys. Phys. Rev. B 65, 024204–024214 (2001)CrossRefADSGoogle Scholar
  2. 2.
    Drittler, B., Stefanou, N., Blugel, S., Zeller, R., Dederichs, P.H.: Electronic structure and magnetic properties of dilute Fe alloys with transition-metal impurities. Phys. Rev. B 40, 8203–8212 (1989)CrossRefADSGoogle Scholar
  3. 3.
    Krause, J.C., Paduani, C., Schuff, J., da Costa, M.I. Jr.: Electronic structure of disordered Fe–V alloys. Phys. Rev. B 57, 857–861 (1998)CrossRefADSGoogle Scholar
  4. 4.
    Elzain, M.E., Ellis, D.E.: Magnetism in Fe/V superlattices and alloys. J. Magn. Magn. Mater. 65, 128–138 (1987)CrossRefADSGoogle Scholar
  5. 5.
    Nevitt, M.V., Aldred, A.T.: Ferromagnetism in V–Fe and Cr–Fe Alloys. J. Appl. Phys. 34, 463–468 (1963)CrossRefADSGoogle Scholar
  6. 6.
    Shiga, M., Nakamura, Y.: Effect of local environment on formation of local moments in BCC Fe–V alloys: Mössbauer study. J. Phys. F (Metal Phys.) 8, 177–190 (1978)CrossRefADSGoogle Scholar
  7. 7.
    Krause, J.C., Schaf, J., da Costa, M.I. Jr., Paduani, C.: Effect of composition and short-range order on the magnetic moments of Fe in Fe1 − xVx alloys. Phys Rev. B 61, 6196–6204 (2000)CrossRefADSGoogle Scholar
  8. 8.
    Averil, F.W., Ellis, D.E.: An efficient numerical multicenter basis set for molecular orbital calculations: application to FeCl4. J. Chem. Phys. 59, 6412–6418 (1973)CrossRefADSGoogle Scholar
  9. 9.
    Elzain, M.E., Ellis, D.E., Guenzberger, D.: Electronic structure and magnetic and hyperfine properties of Fe/V sandwiches and interfaces. Phys. Rev. B 34, 1430–1441 (1986)CrossRefADSGoogle Scholar
  10. 10.
    Blaha, P., Schwarz, K., Madsen, G.K.H., Kvasnicka, D., Luitz, J.: WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, (Karlheinz Schwarz, Tech. Universitat Wien, Austria), 2001. ISBN 3-9501031-1-2Google Scholar
  11. 11.
    Cottenier, S.: Density Functional Theory and the family of (L)APW-methods; a step-by-step introduction (Institute voor Kern-en Stralingsfysica, K. U. Leuven, Belgium), 2002, ISBN 90-807215-1-4 (to be found at http://www.wien2k.at/reg_user/textbooks)
  12. 12.
    Mirbt, N., Abrikosov, I.A., Johansson, B., Skriver, H.L.: Magnetic properties of Fe embedded in V and Cr:ff thin films and dilute alloys. Phys. Rev. B 55, 67–69 (1997)CrossRefADSGoogle Scholar

Copyright information

© Springer Science+Business Media B.V. 2008

Authors and Affiliations

  • M. Elzain
    • 1
  • A. Yousif
    • 1
  • A. Gismelseed
    • 1
  • A. Al Rawas
    • 1
  • H. Widatallah
    • 1
  • K. Bouziane
    • 1
  • I. Al-Omari
    • 1
  1. 1.Physics DepartmentCollege of Science, Sultan Qaboos UniversityAl KhodOman

Personalised recommendations