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. DarribaEmail author
  • E. L. Muñoz
  • P. D. Eversheim
  • M. Rentería


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.


PAC spectroscopy Ab initio calculations Corundum Fe2O3 


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Copyright information

© Springer Science+Business Media B.V. 2010

Authors and Affiliations

  • G. N. Darriba
    • 1
    Email author
  • 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

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