MSM 2000
MSM 2000
Technical Proceedings of the 2000 International Conference on Modeling and Simulation of Microsystems

Computational Materials Chapter 3

Contribution of Hexagonal-like Structure to the Nonlinear Optics in SiC Nanocrystalites

Authors: K.J. Plucinski, I.V. Kityk and A. Kassiba

Affilation: Miltary University of Technology, Poland

Pages: 118 - 121

Keywords: SiC nanocrystallites, photoinduced second harmonic generation measurements, molecular dynamic simulation

The influence of the degree of hexagonality on the photoinduced second harmonic generation (PISHG) in SiC large-sized nanocrystallites, with sizes ranging from 10 – 30 nm and incorporated into an oligoetheracrylate photopolymer matrix was investigated. The PISHG measurements were carried out using pulsed YAG:Nd laser (l=1.06 mm, duration time t= 15 - 50 ps, laser power about 30 MW) as probing beam and a Q-switched nitrogen pulse laser (P=10 MW, l=0.377 mm, t=5-15 ps) as photoinducing beam. Molecular dynamics simulations and band structure calculations enabled us to establish the relation between nanocrystallite size, band structure and degree of hexagonality (partial presence of the hexagonal structural component). Quantum chemical simulations of the PISHG versus temperature, pump-probe time delay and degree of hexagonality were carried out.

ISBN: 0-9666135-7-0
Pages: 741