Münster 1999 – wissenschaftliches Programm

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HL: Halbleiterphysik

HL 23: Poster II

HL 23.32: Poster

Mittwoch, 24. März 1999, 14:00–18:00, Z

Structure and energetics of nonpolar α-SiC surfaces — •E. Rauls, R. Gutierrez, Z. Hajnal, and Th. Frauenheim — Universität-GH Paderborn

A density-functional-based non-orthogonal tight-binding scheme is used to investigate structure and energetics of nonpolar α-SiC surfaces. We determined absolute and relative stabilities of unreconstructed stoichiometric as well as non-stoichiometric (1010) and (1120) surfaces. Further, we investigated oxygen as a very common impurity in SiC, which unintentionally enters the material during growth. For several oxygen adsorption models we present relative surface energies depending on the Si chemical potential.