Fourier Expansion Method for Noncontact Atomic Force Microscopy Image Simulations – Application to Si(111) √3×√3–Ag Surface

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  • Sasaki Naruo
    Department of Physics, Graduate School of Science, University of Tokyo, 7–3–1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
  • Aizawa Hideaki
    Department of Physics, Graduate School of Science, University of Tokyo, 7–3–1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan
  • Tsukada Masaru
    Department of Physics, Graduate School of Science, University of Tokyo, 7–3–1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan

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タイトル別名
  • Fourier Expansion Method for Noncontact Atomic Force Microscopy Image Simulations. Application to Si(111) .RAD.3*.RAD.3-Ag Surface.

抄録

A Fourier expansion method is proposed to simulate noncontact atomic force microscopy images. The three-dimensional distribution of the tip-surface interaction force obtained by the first-principles density functional calculations is efficiently used for calculating frequency shifts of the resonant frequency. The two-dimensional periodicity of the surface, which is the basis of this method, can be rigorously described. For a case study of this method, we theoretically simulate noncontact atomic-force microscopy (NC-AFM) images of a Si(111) √3×√3 R 30º–Ag rigid surface with the first-principles density functional calculation. Force spectroscopies and AFM images for different tip heights are calculated.

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