Modeling of the Non-Linear Optical Properties of the [GeO4] Centers in Silica

Authors

Ravindra Pandey, Michigan Technological UniversityFollow
Michael Coolidge, United States Air Force Academy

Document Type

Article

Publication Date

11-4-1994

Department

Department of Physics

Abstract

Semi-empirical PM3 calculations are performed on the Ge centers in silica using a cluster approximation in the Hartree-Fock framework. Ge-doped silica is simulated as a cluster that consists of a GeO₄ unit together with its four nearest SiO₄ units. Electron trapping does distort the local symmetry of the Ge center where the GeO₄ unit is not exactly tetrahedral. The calculations of the microscopic NLO properties in terms of static hyperpolarizabilities show a large, noticeable increase in β related to second-harmonic generation or Kerr effect for the Ge(1) center upon electron trapping.

Publisher's Statement

© 1994

Publication Title

Journal of Non-Crystalline Solids

Recommended Citation

Pandey, R., & Coolidge, M. (1994). Modeling of the Non-Linear Optical Properties of the [GeO4] Centers in Silica. Journal of Non-Crystalline Solids, 179, 281-287. http://doi.org/10.1016/0022-3093(94)90706-4
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/5355