INVESTIGADORES
DARRIBA German Nicolas
artículos
Título:
Experimental and ab initio study of the nuclear quadrupole interaction of 181Ta-probes in an α-Fe2O3 single crystal
Autor/es:
DARRIBA G. N.; MUÑOZ E. L.; EVERSHEIM P.D.; RENTERÍS M.
Revista:
HYPERFINE INTERACTIONS
Editorial:
Springer
Referencias:
Año: 2010 vol. 197 p. 207 - 212
ISSN:
0304-3843
Resumen:
We report perturbed-angular-correlation (PAC) experiments on 181Hf(181Ta)-implanted corundum α-Fe2O3 singlecrystal,
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.