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Updated: May 24, 2025

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Visualization of the local dipole moment at the Si(111) surface using DFT calculations
Akira Sumiyoshi1, Kohei Yamasue2, Yasuo Cho3
1Department of Engineering Science, The University of Electro-Communications (UEC Tokyo), Chofu, Tokyo, 182-8585, Japan.
Abstract:
A method to simulate the dipole moment mode of the scanning nonlinear dielectric microscope (SNDM) has been developed. This method has been applied to the so-called [Formula: see text] dimer-adatom-stacking-fault (DAS) structure and a [Formula: see text] surface with one adatom and one restatom, which are the main motifs of the DAS structure. It has been revealed that a local upward dipole moment is observed at the adatom site, consistent with the SNDM experiments. Differences in the local atomic arrangements of the adatom and restatom correlate with the amount of charge transfer between adatoms and restatoms, which varies in concert with the magnitude of the local dipole moment. This method will provide information on local dielectric properties necessary for the interpretation of various surface probe microscopy images.
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