INVESTIGADORES
RENTERIA Mario
artículos
Título:
FLAPW Study of the EFG Tensor at Cd Impurities in In2O3
Autor/es:
L. A. ERRICO; M. RENTERÍA; G. FABRICIUS; G.N. DARRIBA
Revista:
HYPERFINE INTERACTIONS
Editorial:
Springer
Referencias:
Lugar: Dordrecht; Año: 2004 vol. 158 p. 63 - 69
ISSN:
0304-3843
Resumen:
We report an ab initio study of the electric-field gradient tensor (EFG) at Cd impuritieslocated at both nonequivalent cationic sites in the semiconductor In2O3. Calculations were performedwith the FLAPW method that allows us to treat the electronic structure of the doped systemand the atomic relaxations introduced by the impurities in the host in a fully self-consistent way.From our results for the EFG (in excellent agreement with the experiments), it is clear that theproblem of the EFG at Cd impurities in In2O3 cannot be described by the point-charge model andantishielding factors.
