American Physical Society, Physical review B, 15(81), 2010
DOI: 10.1103/physrevb.81.155204
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In this work, we present a lattice location study of Sn in Ge. From emission channeling experiments, we determined the exact lattice location of ion implanted 121Sn atoms and compared the results to predictions from density-functional calculations. The majority of the Sn atoms are positioned on the substitutional site, as can be expected for an isovalent impurity, while a second significant fraction occupies the sixfold coordinated bond-centered site, which is stable up to at least 400 °C. Corroborated by ab initio calculations, we attribute this fraction of bond-centered Sn atoms to the Sn-vacancy defect complex in the split-vacancy configuration. Furthermore, we are able to assign specific defect complex geometries to resonances from earlier Mössbauer spectroscopy studies of Sn in Ge.