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The Structure of Surfaces pp 231–236Cite as

The Structure and Surface Energy of Au(110) Studied by Monte Carlo Method

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Part of the book series: Springer Series in Surface Sciences ((SSSUR,volume 2))

Abstract

The surface energy and configuration of a Au(110) surface was calculated using a Monte Carlo technique based on a potential energy function containing two-body and three-body interactions. The potential function, with the parameters calculated from experimental quantities, reproduced the average surface energy and the cohesive energy of Au correctly. Simulation calculations were performed considering discrete atoms up to the third layer from the surface. An ideal defect-free (110) surface was first considered and calculations were performed at T =100 K. The relaxed surface preserved its (1×1) structure; however, the interlayer spacing d12 between the first and second layers displayed a contraction (Δd12 =-9.0%), while the spacing d23 between the second and third layers expanded (Δd23 =+4.9%).

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Author information

Authors and Affiliations

  1. Stanford/NASA Joint Institute for Surface and Microstructural Research, Department of Materials Science and Engineering, Stanford University, Stanford, 94305, CA, USA

    T. Halicioğlu, T. Takai & W. A. Tiller

Authors
  1. T. Halicioğlu
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  2. T. Takai
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  3. W. A. Tiller
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Editor information

Editors and Affiliations

  1. Department of Chemistry, University of California, 94720, Berkeley, CA, USA

    Michel A. Van Hove

  2. Department of Physics and The Laboratory for Surface Studies, The University of Wisconsin-Milwaukee, 53201, Milwaukee, WI, USA

    S. Y. Tong

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© 1985 Springer-Verlag Berlin Heidelberg

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Halicioğlu, T., Takai, T., Tiller, W.A. (1985). The Structure and Surface Energy of Au(110) Studied by Monte Carlo Method. In: Van Hove, M.A., Tong, S.Y. (eds) The Structure of Surfaces. Springer Series in Surface Sciences, vol 2. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-82493-7_37

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  • DOI: https://doi.org/10.1007/978-3-642-82493-7_37

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-82495-1

  • Online ISBN: 978-3-642-82493-7

  • eBook Packages: Springer Book Archive

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