Rotation of Ge ad-dimers on Ge(0 0 1)


Afanasieva, T.V. and Koval, I.F. and Nakhodkin, N.G. and Pyatnitsky, M.Yu and Zandvliet, H.J.W. (2001) Rotation of Ge ad-dimers on Ge(0 0 1). Surface Science, 482-48 (1). pp. 702-707. ISSN 0039-6028

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Abstract:Structural calculations of the Ge ad-dimer rotation on Ge(0 0 1)-2×1 and Ge(0 0 1)-c(4×2) surfaces were performed by ab initio and semiempirical methods. Besides the two (already known) stable adsorption sites on top of the substrate dimer rows (angles between substrate dimer bond and ad-dimer bond are 0° and 90°, respectively) a new local minimum was found. The angle between the substrate dimer bond and the ad-dimer of this local minimum is about 45°. This theoretical result might explain the observation of the so-called A/B Ge ad-dimers on Ge(0 0 1).
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Copyright:© 2001 Elsevier Science B.V.
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