Regensburg 2010 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 51: Electronic Properties I

MM 51.4: Talk

Thursday, March 25, 2010, 11:00–11:15, H5

Positronic structure in metals containing vacancies — •Martin Offenberger¹, Hubert Ebert¹, and John Banhart² — ¹Ludwig-Maximilians-Universität München — ²Helmholtz Zentrum Berlin

Positron anihilation is a well established tool to study defects in metals. Corresponding theoretical calculations for the positronic structure for such systems are made so far using standard band structure codes together with the so-called super cell approach. We present a fully relativistic approach that makes use of multipe scattering theory, i.e. the Korringa-Kohn-Rostoker Green’s function (KKR-GF) method, to avoid artificial boundary conditions. This is achieved by dealing with the defect region by means of the Dyson equation. First results will be presented for the density of states and charge distributions for a positron captured by a vacancy in various metals as Al, Cu and Fe. The change of these properties due to adjacent impurities will be discussed in addition.