Advertisement

Hyperfine Interactions

, Volume 197, Issue 1–3, pp 207–212 | Cite as

Experimental and ab initio study of the nuclear quadrupole interaction of 181 Ta-probes in an α-Fe2O3 single crystal

  • G. N. Darriba
  • E. L. Muñoz
  • P. D. Eversheim
  • M. Rentería
Article

Abstract

We report perturbed-angular-correlation (PAC) experiments on 181Hf (→181Ta)-implanted corundum α-Fe2O3 single crystal in order to determine the magnitude, symmetry and orientation of the electric-field-gradient (EFG) tensor at Ta donor impurity sites of this semiconductor. These results are analyzed in the framework of ab initio full-potential augmented-plane wave plus local orbital (FP-APW+lo) calculations. This combined analysis enables us to quantify the magnitude of the lattice relaxations induced by the presence of the impurity and to determine the charge state of the impurity donor level introduced by Ta in the band gap of the semiconductor.

Keywords

PAC spectroscopy Ab initio calculations Corundum Fe2O3 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Akai, H., Akai, M., Blügel, S., Drittler, B., Ebert, H., Terakura, K., Zeller, R., Dederichs, P.H.: Prog. Theor. Phys. Suppl. 101, 11 (1990)CrossRefADSGoogle Scholar
  2. 2.
    Sawada, H.: Mater. Res. Bull. 31, 141 (1996)CrossRefGoogle Scholar
  3. 3.
    Searle, C.W., Dean, G.W.: Phys. Rev. B 1, 4337 (1970)CrossRefADSGoogle Scholar
  4. 4.
    Rentería, M., Bibiloni, A.G., Darriba, G.N., Errico, L.A., Muñoz, E.L., Richard, D., Runco, J.: Hyperfine Interact. 181, 145 (2008)CrossRefADSGoogle Scholar
  5. 5.
    Schatz, G., Weidinger, A.: Nuclear Condensed Matter Physics: Nuclear Methods and Applications. Wiley, Chichester (1996)Google Scholar
  6. 6.
    Kaufmann, E.N., Vianden, R.J.: Rev. Mod. Phys. 51, 161 (1979)CrossRefADSGoogle Scholar
  7. 7.
    Frauenfelder, H., Steffen, R.M.: In: Siegbahn, K. (ed.) Alpha-, Beta-, and Gamma-Ray Spectroscopy, vol. 2. North-Holland, Amsterdam (1966)Google Scholar
  8. 8.
    Pasquevich, A.F., et al.: Phys. Rev. B 48, 10052 (1993)CrossRefADSGoogle Scholar
  9. 9.
    Darriba, G.N., Errico, L.A., Eversheim, P.D., Fabricius, G., Rentería, M.: Phys. Rev. B 79, 115213 (2009)CrossRefADSGoogle Scholar
  10. 10.
    Wegner, D.: Hyperfine Interac. 23, 179 (1985)CrossRefADSGoogle Scholar
  11. 11.
    Wrede, U.: Ph.D. Thesis. Universtät Bonn, Germany (1986)Google Scholar
  12. 12.
    Pasquevich, A.F., Junqueira, A.C., Carbonari, A.W., Saxena, S.: Hyperfine Interact. 158, 371 (2004)CrossRefADSGoogle Scholar
  13. 13.
    Bartos, A., Bolse, W., Lieb, K.P., Uhrmacher, M.: Phys. Lett. A 130, 177 (1988)CrossRefADSGoogle Scholar
  14. 14.
    Butz, T., Lerf, A.: Phys. Lett. A 97, 217 (1983)CrossRefADSGoogle Scholar
  15. 15.
    Sjöstedt, E., Nordström, L., Singh, D.J.: Solid State Commun. 114, 15 (2001)CrossRefGoogle Scholar
  16. 16.
    Madsen, G.K.H., Blaha, P., Schwarz, K., Sjöstedt, E., Nordström, L.: Phys. Rev. B 64, 195134 (2001)CrossRefADSGoogle Scholar
  17. 17.
    Blaha, P., Schwarz, K., Madsen, G., Kvasnicka, D., Luitz, J.: WIEN2k, an augmented plane wave plus local orbitals program for calculating crystal properties. K. Schwarz, Technical Universität Wien, Austria (1999)Google Scholar
  18. 18.
    Perdew, J.P., Wang, Y.: Phys. Rev. B 45, 13244 (1992)CrossRefADSGoogle Scholar
  19. 19.
    Perdew, J.P., Burke, K., Erzenhorf, M., Wang, Y.: Phys. Rev. Lett. 77, 3865 (1996)CrossRefADSGoogle Scholar
  20. 20.
    Shannon, R.D.: Acta Cryst. A 32, 751 (1976)CrossRefGoogle Scholar
  21. 21.
    Asai, K., Ambe, F., Ambe, S., Okada, T., Sekizawa, H.: Phys. Rev. B 41, 6124 (1990)CrossRefADSGoogle Scholar
  22. 22.
    Rentería, M., Darriba, G.N., Errico, L.A., Muñoz, E.L., Eversheim, P.D.: Phys. Stat. Sol. (B) 242, 1928 (2005)CrossRefADSGoogle Scholar
  23. 23.
    Penner, J., Vianden, R.: Hyperfine Interact. 158, 389 (2004)CrossRefADSGoogle Scholar
  24. 24.
    Habenicht, S., Lupascu, D., Neubauer, M., Uhrmacher, M., Lieb, K.P.S.: Hyperfine Interact. 120/121, 445 (1999)CrossRefADSGoogle Scholar
  25. 25.
    Darriba, G.N., Errico, L.A., Muñoz, E.L., Richard, D., Eversheim, P.D., Rentería, M.: Phys. B 404, 2739 (2009)CrossRefADSGoogle Scholar
  26. 26.
    Neubauer, M., Bartos, A., Lieb, K.P., Lupascu, D., Hrumacher, M., Wenzel, T.: Europhys. Lett. 29, 175 (1995)CrossRefADSGoogle Scholar

Copyright information

© Springer Science+Business Media B.V. 2010

Authors and Affiliations

  • G. N. Darriba
    • 1
  • E. L. Muñoz
    • 1
  • P. D. Eversheim
    • 2
  • M. Rentería
    • 1
  1. 1.Departamento de Física e Instituto de Física La Plata (IFLP, CCT La Plata, CONICET), Facultad de Ciencias ExactasUniversidad Nacional de La PlataLa PlataArgentina
  2. 2.Helmholtz-Institut für Strahlen- und Kernphysik (H-ISKP)Universität BonnBonnGermany

Personalised recommendations