Nanoindentation of silicon surfaces: Molecular-dynamics simulations of atomic force microscopy

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© 2000 American Physical Society (APS). This is the accepted version of the following article: Astala, R. & Kaukonen, M. & Nieminen, Risto M. & Heine, T. 2000. Nanoindentation of silicon surfaces: Molecular-dynamics simulations of atomic force microscopy. Physical Review B. Volume 61, Issue 4. 2973-2980. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.61.2973, which has been published in final form at http://journals.aps.org/prb/abstract/10.1103/PhysRevB.61.2973.
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School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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en

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2973-2980

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Physical Review B, Volume 61, Issue 4

Abstract

We investigate the atomic-scale details of atomic force microscopy through a quasistatic molecular dynamics simulation together with a density-functional-based tight-binding method. The changes in the AFM tip shape, the size of the tip-sample contact area, as well as the microscopic hardness and Young’s moduli of silicon {111},{110},{100} surfaces are studied. Furthermore, the effects of hydrogen termination of the surface and of subsurface vacancies on hardness and Young’s modulus are discussed.

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Astala, R. & Kaukonen, M. & Nieminen, Risto M. & Heine, T. 2000. Nanoindentation of silicon surfaces: Molecular-dynamics simulations of atomic force microscopy. Physical Review B. Volume 61, Issue 4. 2973-2980. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.61.2973.