A New Way to Predict the Efficiency of Optical Limiters without Providing an Experiment: Processing of TDDFT Calculations for the Case of Pure Two-Photon Absorption

Abstract

Laser-power-limiting devices play a predominant role in photonics because of their potential for protecting human eyes and optical devices that are sensitive to intense laser beams. This paper describes a new methodology for predicting the efficiency of optical limiting based on electric-field-induced changes in absorption spectra calculated with the TDDFT quantum-chemical method. Analytical equations are derived to evaluate the optical thresholds and speed of switching on, the dynamic range, and the degree of nonlinear attenuation of the radiation fluxes for the case of two-photon absorption. Thus, the researcher does not need to conduct costly experiments to evaluate the suitability of nonlinear absorbers for the creation of optical limiters. The possibility of developing a forecasting model is demonstrated by an example of a series of stable slipped-cofacial phthalocyanine J-type dimers, which were synthesized and investigated previously.

Conditions for the efficiency of optical limiting based on experiment and quantum chemical calculations

“…And this is consistent with the analysis of experimental data (Fig. 5) and the results for phthalocyanine J-dimers presented in ref. 13.…”

“…Therefore, as the goal of this article, we consider the implementation of a methodology for predicting the efficiency of optical limiting based on quantum chemical calculations. This is a kind of continuation of some previous studies [13][14][15] in the same vein but with a significant simplification of the theoretical component. In particular, the calculation of the dipole moment, polarizability, and hyperpolarizability is much simpler than the computation of the optical limiting characteristics obtained on a huge number of tasks with molecules excited by electric fields.…”

“…The larger β , k A and DR, and the smaller I x , the more efficient the absorber is considered. 13 However, all these parameters are not only related to each other but also to the absorber concentration. Therefore, correlation analysis is strongly required to assess the efficiency of optical limiting.…”