Zernike Correction and Multi-Objective Optimization of Multi-Layer Dual-Scale Nano-Coupled Anti-Reflective Coatings

In high-precision optical systems such as laser optics, astronomical observation, and semiconductor lithography, anti-reflection coatings are crucial for light transmittance, imaging quality, and stability, but traditional designs face modeling challenges in balancing ultralow reflectivity, high wavefront quality, and manufacturability amid multi-dimensional parameter coupling and multi-objective constraints. This study addresses these by proposing a unified mathematical modeling framework integrating a Symmetric five-layer high-low refractive index alternating structure (V-H-V-H-V) with dual-scale nanostructures, employing a constrained quasi-Newton optimization algorithm (L-BFGS-B) to minimize reflectivity, wavefront root-mean-square (RMS) error, and surface roughness root-mean-square (RMS) in a six-dimensional parameter space. The Sellmeier equation is adopted to calculate wavelength-dependent material refractive indices, the model uses the transfer matrix method for the Symmetric five-layer high-low refractive index alternating structure’s reflectivity, incorporates nano-surface height function gradient correction, sub-wavelength modulation, and radial optimization, applies Zernike polynomials for low-order aberration correction, quantifies surface roughness via curvature proxies, and optimizes via a weighted objective function prioritizing low reflectivity. Numerical results show the spatial average reflectivity at 632.8 nm reduced to 0.13%, the weighted average reflectivity across five representative wavelengths in the 550–720 nm range to 0.037%, the reflectivity uniformity to 10.7%, the post-correction wavefront RMS to 11.6 milliwavelengths, and the surface height standard deviation to 7.7 nm. This framework enhances design accuracy and efficiency, suits UV nanoimprinting and electron beam evaporation, and offers significant value for high-power lasers, lithography, and space-borne radars.