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In this paper we investigate the effect of Cd doping at ultra-lowconcentrations in SnO$_2$ both experimentally, by measuring the temperaturedependence of the electric quadrupole hyperfine interactions withtime-differential perturbed angular correlation (TDPAC) spectroscopy using$^{111}$Cd as probe nuclei, and theoretically, by performing first-principlescalculations based on the density functional theory. TDPAC spectra weresuccessfully analyzed with a time-dependent on-off model for the perturbationfactor. These results show combined dynamic plus static interactions whoseelectric-field gradients were associated in this model to different stableelectronic configurations close to the Cd atoms. The dynamic regime is thenoriginated in fast fluctuations between these different electronicconfigurations. First-principles calculations results show that the Cd impurityintroduces a double acceptor level in the top of the valence band of the dopedsemiconductor and produces isotropic outward relaxations of the nearest oxygenneighbors. The variation of the calculated electric-field gradient tensor as afunction of the charge state of the Cd impurity level shows an interestingbehavior that explains the experimental results, giving strong support fromfirst-principles to the electron-capture after-effects proposed scenario. Theelectron-capture decay of the parent $^{111}$In to $^{111}$Cd as well as thedouble acceptor character of the $^{111}$Cd impurity and the electric nature ofthe host are shown to contribute to the existence of these type oftime-dependent hyperfine interactions.

journal of physical chemistry. c./journal of physical chemistry. c

Experimental TDPAC and Theoretical DFT Study of Structural, Electronic,  and Hyperfine Properties in ($^{111}$In-->) $^{111}$Cd-Doped SnO$_2$  Semiconductor: Ab Initio Modeling of the Electron-Capture-Decay After-Effects  Phenomenon