- School of Physics, Huazhong University of Science and Technology, Wuhan, China
Efficient light trapping bulk structures can significantly enhance light absorption in solar cells while reducing manufacturing costs. However, locating the optimal set of design parameters within a complex solution space remains challenging. Although numerous optimization algorithms have been employed to optimize bulk structure topologies, most treat the problem as purely mathematical, overlooking established physical principles such as light trapping and anti-reflection theories. By integrating both light-trapping and anti-reflection regularization, we obtain a 2 dimensional silicon inverted pyramid array (IPA) structure with an absorption rate of 0.7076, which yields a relative enhancement of 11.6% over the non-regularized baseline.
1 Introduction
Light trapping structures are widely employed in solar cell research to enhance light absorption and reduce costs (Yablonovitch, 1982; Wang et al., 2014; Yu et al., 2011; Peter Amalathas and Alkaisi, 2019; Li et al., 2020; Massiot et al., 2020; Zhou and Biswas, 2008; Cao et al., 2021). Numerous designs, including inverted pyramid arrays (Yokogawa et al., 2017), triangular gratings (Dewan et al., 2009), nanoholes (Raman et al., 2011), nanowires (Garnett and Yang, 2010), nanocones (Wang et al., 2012), and photonic crystals (Bermel et al., 2007), have been proposed based on physical intuition. However, the complex nature of light-matter interactions makes it challenging to derive optimal structural parameters through intuition alone.
To address this, various optimization algorithms have been applied to optimize light trapping geometries (Campbell et al., 2019; Newton, 2007; Hestenes and Stiefel, 1952; Donald, 1963; Holland, 1992; Poli et al., 2007; Storn and Price, 1997; Rocca et al., 2011; Hansen et al., 2003). Kordrostami et al. used particle swarm optimization (PSO) to tune nanowire dimensions and inclination angles (Zoheir and Sheikholeslami, 2020), Wang et al. developed a genetic algorithm (GA)-based topology optimization framework (Wang et al., 2013), and Guo et al. designed broadband anti-reflection coatings through an ant colony algorithm (ACA) (Guo et al., 2014). While effective, these methods typically treat the optimization as a purely mathematical problem, neglecting established physical principles.
Regularization offers a way to incorporate such physical intuition by introducing a bias term into the objective function (Tian and Zhang, 2022; Benning and Burger, 2018; Kayri, 2016; Wen et al., 2018). In this work, we employ the covariance matrix adaptation evolution strategy (CMA-ES) (Auger et al., 2012) to optimize inverted pyramid arrays, integrating light trapping and anti-reflection theories into a regularization term. Our results demonstrate that each physical model individually enhances CMA-ES performance. Moreover, combining both theories into a single regularization term yields greater improvement than either alone.
2 Methods
Figure 1 presents a schematic of the bulk structures with inverted pyramid arrays (IPAs). Incident light illuminates the structure vertically from above and is absorbed within the absorption layer. The structure comprises two regions: the blue area represents the silicon absorption material, while the yellow area denotes the IPA grating, which is modeled as air for simplicity. Inspired by double-sided grating designs (Wang et al., 2012), we investigate four configurations: (a) a top-only grating optimized with anti-reflection regularization; (b) a bottom-only grating optimized with light trapping regularization; (c) a double-sided grating optimized using both regularization terms. Key geometric parameters include the IPA length
Figure 1. Two dimensional IPA structures in air. In all subplots, blue represent absorption layer which is filled with silicon, yellow represent IPAs which are filled with air. A mirror is placed at the bottom to enhance the absorption rate. The base, height and off-center distance of IPAs are denoted by
We use CMA-ES to optimize these IPA structures, and use the Average Absorption as the fitness function (i.e., the objective function of optimization algorithms). Average Absorption is used to quantify the light absorption of a bulk structure over a range of wavelengths. To introduce the quantitative definition of Average Absorption, we first define the light absorption for a single wavelength. Let
where
Figure 2. Average absorption spectrum and its statistical variability for 1,000 randomly sampled structures (Figure 1d) within the optimized parameter space. The horizontal axis represents the incident light wavelength (400–1,100 nm), and the vertical axis shows the corresponding absorption rate. The solid blue line indicates the mean absorption rate across all sampled structures. The light-blue shaded region denotes the range of
The goal of light trapping optimization problems is to maximize the Average Absorption of the bulk structures with IPAs. a, h, and c are the design variables to be optimized. The constraints of the solution space are
to be optimized, instead of
Regularization, a technique widely employed across disciplines such as mathematics, statistics, and computer science (Wen et al., 2018; Wang et al., 2020; Yun et al., 2019), can be implemented by introducing an additional term to the objective function of an optimization problem. For example, we can add a term
The optimization objective is thus redefined as maximizing the Regularized Average Absorption, which incorporates a physical prior
Let us now introduce the regularization term from light trapping theory. According to Yu’s light trapping theory (Yu et al., 2011), the absorption coefficient
where
where
where
Since the period
Figure 3. Theoretical upper limit of the absorption coefficient
We use
Let us now introduce the regularization term based on anti-reflection theory. A high aspect ratio,
The CMA-ES algorithm was implemented with the following parameters. The initial shape parameters of the structure
S4 is a rigorous coupled-wave analysis (RCWA) method developed by Victor Liu (Liu and Fan, 2012). We use the Python version of S4 to simulate the light absorption of bulk structures. The simulations are performed under transverse magnetic (TM) polarized plane-wave incidence. The number of Fourier expansion orders (NumBasis) is set to 20, while all other simulation parameters retain their default values.
3 Results and analysis
Figure 4 plots the Average Absorption achieved by CMA-ES versus the regularization strength
Figure 4. Average absorption rates obtained by the CMA-ES optimization algorithm for the bottom-only IPA structures under different regularization strengths. The blue scatter points represent the original data, while the red dashed line shows the fitted trend. The x-axis indicates the light trapping regularization strength
We note that the selection of the regularization strength
For the top-only grating optimized using Equation 9, the Average Absorption shows a non-monotonic dependence on the anti-reflection regularization strength
Figure 5. Average absorption rates obtained by the CMA-ES optimization algorithm for top-only IPA structures under different regularization strengths. The blue scatter points represent the original data, while the red dashed line shows the fitted trend. The x-axis indicates the anti-reflection regularization strength
The light trapping regularization leads to a greater performance improvement than the anti-reflection approach. This advantage stems from their distinct theoretical foundations. The light trapping scheme is derived from a rigorous physical theory, which provides a precise analytical expression and a clear absorption upper limit. This strong theoretical foundation offers unambiguous guidance for the optimization process. In contrast, the anti-reflection regularization relies primarily on physical intuition.
Next, we integrated light trapping regularization with anti-reflection regularization Figure 6. The double-sided grating structure was optimized using the objective function defined in Equation 10,
where
Figure 6. Optimization landscape of double-sided IPA structures using CMA-ES under varying regularization strengths. The heatmap visualizes the absorption rate across the two-dimensional regularization parameter space, where
To investigate the effect of regularization, we plotted two sets of violin plots to visualize the distribution of converged algorithm parameters, comparing the cases before and after applying light trapping and anti-reflection regularization, respectively. In Figure 7a, it can be observed that without regularization, the base length (a) of IPA structures predominantly converges around 1,600 nm, which corresponds to the broader region with smaller local maxima in Figure 3. In contrast, after applying regularization, the algorithm converges mostly at a = 600 nm, which aligns with the region exhibiting higher peak values in Figure 3. This clearly demonstrates that light trapping regularization effectively guides the algorithm to shift its convergence from a local maximum toward the global optimum. In Figure 7b, after applying regularization, the convergence region with small
Figure 7. (a) Probability density distributions of base length
Figure 8 presents the optimized geometries and the corresponding electric field profiles obtained under four distinct regularization configurations. In Figure 8a, corresponding to the case without regularization
Figure 8. The optimized geometries and their corresponding electric field profiles for four distinct regularization configurations. Incident light enters from the top, is guided and absorbed within the structure, and is ultimately reflected back by a mirror positioned at the bottom. The color bar indicates the averaged electric field intensity over the incident spectrum. (a) Non-regularized structure (
4 Discussion and conclusion
In conclusion, for the specific problem of optimizing the absorption rate of 2D silicon IPA structures, our results demonstrate that the performance of CMA-ES is influenced by the strength of the regularization term. Both light trapping and anti-reflection regularization were found to enhance its performance. This enhancement initially increases with regularization strength but diminishes beyond an optimal point, indicating a trade-off between guidance and over-constraint.
In recent years, topology optimization and inverse design based on adjoint/gradient methods have seen significant advancements (Kim et al., 2025; Pan and Pan, 2023; Mansouree et al., 2021). Our work demonstrates that regularization by physical priors offers a complementary path to improving photonic optimization. Instead of refining the search strategy (how to optimize), we reformulate the problem itself (what to optimize). This reformulation—though tested with CMA-ES—is inherently transferable: by adding a regularization term, we superimpose a smooth, theory-driven gradient onto the often noisy fitness function. This provides consistent directional guidance in complex regions, which should facilitate convergence for both heuristic and gradient-based methods. However, this benefit is conditional. The regularization term directly alters the objective’s gradient, meaning that an overly strong regularization term can dominate and mislead the search rather than guide it. To mitigate this risk, we introduced an adaptive scheme that starts with a minimal regularization weight and exponentially increases it to identify the optimal strength, thereby ensuring the prior provides constructive guidance. Consequently, regularization tends to be most effective when applied to complex problems with a well-defined physical prior. This is especially relevant for highly non-convex problems, where significant noise can make it challenging for algorithms to converge based solely on the problem’s own gradient. In such scenarios, introducing an appropriate regularization term may help guide the iterative process toward a more desirable solution.
Data availability statement
The raw data supporting the conclusions of this article will be made available by the authors, without undue reservation.
Author contributions
ZZ: Writing – original draft, Writing – review and editing.
Funding
The author(s) declared that financial support was not received for this work and/or its publication.
Conflict of interest
The author(s) declared that this work was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
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Keywords: anti-reflect film, light trapping, optimization, physics-informed algorithms, regularization
Citation: Zhang Z (2026) Regularized topology optimization for light trapping structure in solar cells. Front. Nanotechnol. 8:1741495. doi: 10.3389/fnano.2026.1741495
Received: 07 November 2025; Accepted: 12 January 2026;
Published: 29 January 2026.
Edited by:
Yi Wang, Eindhoven University of Technology, NetherlandsReviewed by:
Yuncai Feng, Qingdao University of Technology, ChinaChao Dong, Hewlett-Packard, United States
Copyright © 2026 Zhang. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
*Correspondence: Zijian Zhang, enpqaWFuQGh1c3QuZWR1LmNu