IFLP   13074
INSTITUTO DE FISICA LA PLATA
Unidad Ejecutora - UE
artículos
Título:
Experimental and ab initio study of Ta-doped alfa-Fe2O3 singlecrystal
Autor/es:
G. N. DARRIBA; E. L. MUÑOZ; P. D. EVERSHEIM; M. RENTERÍA
Revista:
HYPERFINE INTERACTIONS
Editorial:
Springer
Referencias:
Lugar: Amsterdam; Año: 2011 vol. 197 p. 207 - 212
ISSN:
0304-3843
Resumen:
Abstract We report perturbed-angular-correlation (PAC) experiments on 181Hf(®181Ta)-implanted corundum á-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.