There have been several studies of second harmonic generation (SHG) from chemically-modified vicinal Si(111) wafers. The SH fields contain one-fold (Ψ) and three-fold (3Ψ) symmetry contributions, which originate respectively from the terrace and surface step atoms. The phase of these contributions are different for native oxides, and are a function of the frequency of the incident radiation, ω. To identify the origin of these different phases for the terrace and step SH fields, we use a classical anharmonic oscillator model based on two assumptions: (a) a significant fraction of Si atoms at the steps have dangling bonds when oxides are formed below ~850°C, and (b) these step atoms are linked to atoms at the bottom of the steps by O-Si-O groups following annealing at >900°C.
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This research was supported by the U.S. Department of Energy, the National Science Foundation, and the Office of Navy Research. We acknowledge a fruitful collaboration with Professor H. Kurz and his colleges of RWTH - Aachen.
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Jing, Z., Lucovsky, G. & Whitten, J.L. Chemical Modification of Surface Steps on SI(111) Vicinal Wafers: a Bonding Model for Phase Changes in Second Harmonic Generation. MRS Online Proceedings Library 318, 287–292 (1993). https://doi.org/10.1557/PROC-318-287