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The diffractive zone thicknesses of conventional diffractive optical elements (DOEs) are generally obtained using the thin element approximation (TEA). However, the TEA yields inaccurate results in the case of thick multilayer DOEs (MLDOEs). The extended scalar theory (EST) is an alternative thickness optimization method that depends on the diffractive order and the optimization wavelength. We developed an algorithm to research suitable EST input parameters. It combines ray-tracing and Fourier optics to provide a performance estimate for each EST parameter pair. The resulting "best" MLDOE designs for three different material combinations are analyzed using rigorous finite-difference time-domain. Compared to the TEA, the proposed algorithm can provide performing zone thicknesses.

The polychromatic integral diffraction efficiency (PIDE) metric is generally used to select the most suitable materials for multilayer diffractive optical elements (MLDOEs). However, this method is based on the thin element approximation, which yields inaccurate results in the case of thick diffractive elements such as MLDOEs. We propose a new material selection approach, to the best of our knowledge, based on three metrics: transmission, total internal reflection, and the optical component's total thickness. This approach, called "geometric optics material selection method" (GO-MSM), is tested in mid-wave and long-wave infrared bands. Finite-difference time-domain is used to study the optical performance (Strehl ratio) of the "optimal" MLDOE combinations obtained with the PIDE metric and the GO-MSM. Only the proposed method can provide MLDOE designs that perform. This study also shows that an MLDOE gap filled with a low index material (air) strongly degrades the image quality.

The performance (paraxial phase delay) of conventional diffractive optical elements is generally analyzed using the analytical scalar theory of diffraction, based on thin-element approximation (TEA). However, the high thickness of multilayer diffractive optical elements (MLDOEs) means that TEA yields inaccurate results. To address this, we tested a method based on ray-tracing simulations in mid-wave and long-wave infrared wave bands and for multiple f -numbers, together with the effect of MLDOE phase delay on a collimated on-axis beam with an angular spectrum method. Thus, we accurately generate optical figures of merit (point spread function along the optical axis, Strehl ratio at the "best" focal plane, and chromatic focal shift) and, by using a finite-difference time-domain method as a reference solution, demonstrate it as a valuable tool to describe and quantify the longitudinal chromatic aberration of MLDOEs.