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 at Omaha
Jianjun Liu, University of Nebraska-LincolnFollow
J. R. Hardy, University of Nebraska-Lincoln
Mengjun Bai, University of Nebraska-LincolnFollow
Stephen Ducharme, University of Nebraska-LincolnFollow

Document Type

Article

Date of this Version

6-11-2003

Citation

Journal of Physics: Condensed Matter (June 11, 2003) 15 (22): 3,805–3,811

http://stacks.iop.org/JPhysCM/15/3805

Comments

Copyright © 2003, IOP Publishing. Used by permission

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.