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

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

HYPERFINE INTERACTIONS

Springer

Año: 2010 vol. 197 p. 199 - 205

0304-3843

Time-Differential γ-γ Perturbed-Angular-Correlation (PAC) measurementswere performed in 111In-difussed Sc2O3 polycrystals in order to characterizethe electric-field-gradient tensor at 111Cd nuclei located at the two non-equivalentcation sites of the host lattice. The experimental data were compared with ab initiocalculations performed using the Full-Potential Augmented Plane Wave plus localorbital (FP-APW+lo) method in the framework of the Density Functional Theory.The PAC experiments were carried out in air in the temperature range 10–900 K.The spectra present a strong damping below 650 K. This damping is associatedwith dynamic hyperfine interactions that were analyzed with the perturbation factorproposed by Bäverstam et al..Amodel based in the population of impurity levels thatare introduced by the Cd probes (supported by FP-APW+lo results) is proposed inorder to explain the origin of the observed dynamic interactions.