PAC study of the dynamic hyperfine interactions at 111In-doped Sc2O3 semiconductor and comparison with ab initio calculations

E. L. MUÑOZ; D. RICHARD; A. W. CARBONARI; L. A: ERRICO; M. RENTERIA

Ginebra, Suiza

Conferencia; 3rd Joint International Conference on Hyperfine Interactions & International Symposium on Nuclear Quadrupole Interaction; 2010

CERN

perturbed-angular-correlation (PAC) measurements were performed in 111In-difussed Sc2O3 polycrystals in order to characterize the electric-field-gradient (EFG) tensor at 111Cd nuclei located at the two non-equivalent cation sites of the host lattice. The experimental data were is compared with ab initio calculations performed using the Full-Potential Augmented Plane Wave plus local orbital (FP-APW+lo) method in the framework of the Density Functional Theory (DFT). The PAC experiments were carried out in air in the temperature range 10 K–900 K. The spectra present a strong damping below 650 K. This damping is associated with  A model based in the population of impurity levels induced by the Cd probes (in excellent agreement with FP-APW+lo results) is proposed in order to explain the origin of the observed dynamic interactions.