TDPAC Study of Cd-doped SnO.

E. L. MUÑOZ; A. W. CARBONARI; L. A. ERRICO; H. M PETRILLI; M. RENTERÍA

HYPERFINE INTERACTIONS

Springer

Lugar: Dordrecht, Holanda; Año: 2007 p. 37 - 43

0304-3843

The combination of hyperfine techniques and ab initio calculations hasbeen shown to be a powerful tool to unravel structural and electronic characterizationsof impurities in solids. A recent example has been the study of CddopedSnO, where ab initio calculations questioned previous TDPAC assignmentsof the electric-field gradient (EFG) in 111In-implanted Sn-O thin films. Here wepresent new TDPAC experiments at 111In-difused polycrystalline SnO. A reversibletemperature dependence of the EFG was observed in the range 295?900 K. TheTDPAC results were compared with theoretical calculations performed with the fullpotentiallinearized augmented plane wave (FP-LAPW) method, in the frameworkof the density functional theory. Through the comparison with the theoretical results,