Dresden 2011 – wissenschaftliches Programm

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HL: Fachverband Halbleiterphysik

HL 44: Poster Session I

HL 44.64: Poster

Dienstag, 15. März 2011, 18:00–21:00, P3

Ab initio investigations of Mg diffusion in ZnMgO — •Marcel Giar and Christian Heiliger — I. Physikalisches Institut, Justus-Liebig-Universität, D-35392 Giessen, Germany

We present ab initio calculations of possible diffusion paths for a single Mg atom in a ZnMgO supercell. Simple models are selected for the diffusion paths. We further estimate the energetic barrier by assuming that thermal energy at room temperature and elevated temperature suffices to activate the diffusion within the structure.