Dresden 2006 – wissenschaftliches Programm

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HL: Halbleiterphysik

HL 50: Poster II

HL 50.2: Poster

Donnerstag, 30. März 2006, 16:30–19:00, P3

ATOMISTIC STUDY OF BULK PROPERTIES AND POINT DEFECTS IN GERMANIUM — •Henning Gessner and Matthias Posselt — FZ-Rossendorf PO-Box 510119, D-01314 Dresden

Different parameterizations for the Stillinger-Weber potential and the Tersoff potential are used to determine the elastic properties and the melting point of Ge as well as the stability, the structure and the energetics of potential vacancy and self-interstitial configurations. The results are compared with literature data obtained from experiments and by tight-binding and density-functional theory calculations. Furthermore, the vacancy and self-interstitial migration is investigated for temperatures between 600 and 1200 K. The defect diffusivity, the self-diffusion coefficient per defect and the corresponding effective migration barriers are determined. These results are compared with experimental data on self-diffusion in Ge.