Dresden 2003 – wissenschaftliches Programm

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O: Oberflächenphysik

O 24: Postersitzung (Epitaxie und Wachstum, Oxide und Isolatoren, Elektronische Struktur, Oberfl
ächenreaktionen, Adsorption an Oberfl
ächen, Organische Dünnschichten)

O 24.14: Poster

Mittwoch, 26. März 2003, 14:30–17:30, P1

Simulation of epitaxial growth on II-VI semiconductor surfaces — •Thorsten Volkmann, Martin Ahr, and Michael Biehl — Institut für Theoretische Physik und Astrophysik, Julius-Maximilians-Universität Würzburg, Am Hubland, 97074 Würzburg

We study various growth and desorption modes of II-VI(001) semiconductor surfaces (e.g. CdTe) under an MBE like environment. To this end we employ KMC simulations of a 3d solid on solid growth model. This model incorporates the treatment of two different particle species as well as the correct zinc blende lattice structure. Material specific surface reconstructions are reproduced through anisotropic particle interactions that are based on DFT calculations. We consider an additional weak binding state for group VI atoms which is motivated by experimental findings. These atoms are treated in a mean-field manner as spatially homogeneous particle reservoir. Our simulation results show good agreement with experimental observations at CdTe(001), and by varying the parameters, the model should apply to other II-VI semiconductors, e.g. ZnSe, too.