Theoretical study on the optical properties of polyvinylidene fluoride crystal

Authors

Chun-gang Duan, University of Nebraska at OmahaFollow
Wai-Ning Mei, University of Nebraska at OmahaFollow
Wei-Guo Yin, University of Nebraska–Omaha
Jianjun Liu, University of Nebraska - LincolnFollow
J. R. Hardy, University of Nebraska - LincolnFollow
Mengjun Bai, University of Nebraska-LincolnFollow
Stephen Ducharme, University of NebraskaFollow

Date of this Version

6-11-2003

Comments

Published in Journal of Physics: Condensed Matter 15:22 (June 11, 2003), pp. 3805–3811. Copyright © 2003 IOP Publishing Ltd. Used by permission. Submitted March 6, 2003; revised April 22, 2003; published online May 23, 2003, at http://stacks.iop.org/JPhysCM/15/3805

Abstract

We report our first-principles studies on the linear and non-linear optical properties of ferroelectric polyvinylidene fluoride crystal. Calculated values of the refractive indices agree well with experiments. As regards the second-harmonic-generation coefficients, theoretical values are larger than experimental ones. Possible reasons for the discrepancy are discussed.