title: Transition metal impurities on the bond-centered site in germanium.
abstract: We report on the lattice location of ion implanted Fe, Cu, and Ag impurities in germanium from a combined approach of emission channeling experiments and ab initio total energy calculations. Following common expectation, a fraction of these transition metals (TMs) was found on the substitutional Ge position. Less expected is the observation of a second fraction on the sixfold coordinated bond-centered site. Ab initio calculated heats of formation suggest this is the result of the trapping of a vacancy by a substitutional TM impurity, spontaneously forming an impurity-vacancy complex in the split-vacancy configuration. We also present an approach to displace the TM impurities from the electrically active substitutional site to the bond-centered site.
authors.affiliation: Instituut voor Kern- en Stralingsfysica and INPAC, KULeuven, BE-3001 Leuven, Belgium.
authors.forename: S
authors.initials: S
authors.lastname: Decoster
authors.forename: S
authors.initials: S
authors.lastname: Cottenier
authors.forename: B
authors.initials: B
authors.lastname: De Vries
authors.forename: H
authors.initials: H
authors.lastname: Emmerich
authors.forename: U
authors.initials: U
authors.lastname: Wahl
authors.forename: J G
authors.initials: JG
authors.lastname: Correia
authors.forename: A
authors.initials: A
authors.lastname: Vantomme