Presentation Information
[3E08]Surface local dipole moment at the Si(111) using DFT calculations
*Akira Sumiyoshi1, Ranferi Cancino Betancourt1, Shota Sato1, Kohei Yamasue2, Yasuo Cho3, Jun Nakamura1 (1. Graduate School of The Univ. of Electro-Communications, 2. Research Institute of Electrical Communication, Tohoku University, 3. New Industry Creation Hatchery Center, Tohoku University)
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 Si(111)−(7×7) dimer-adatom-stacking-fault (DAS) and other Si(111) families. 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.