Inverse Design Validated Optimization of Lead-Free Cs$_3$Cu$_2$Cl$_5$ Visible-Light Microring Resonators Using a Coupled DFT-FDTD Framework

TL;DR

This study demonstrates the design and validation of lead-free Cs$_3$Cu$_2$Cl$_5$ microring resonators for visible light applications using a coupled DFT-FDTD framework, providing a systematic geometry-performance map.

Contribution

It introduces a novel integrated DFT-FDTD approach for inverse design of environmentally friendly visible-light microring resonators with systematic performance analysis.

Findings

Achieved a quality factor of approximately 5386 at optimal geometry.

Mapped the full transition from over-coupled to under-coupled regimes.

Validated device performance with cross-platform simulations and improved coupling efficiency by 3%.

Abstract

Microring resonators (MRRs) are indispensable for wavelength filtering, sensing, and on-chip signal routing in photonic integrated circuits, yet visible-wavelength implementations using environmentally benign materials remain scarce. We report a numerical design study of add-drop MRRs employing Cs$_3$Cu$_2$Cl$_5$, a lead-free all-inorganic halide with favorable optical properties in the visible spectral range. Wavelength-resolved refractive index (n) and extinction coefficient (k) of Cs$_3$Cu$_2$Cl$_5$, calculated using density functional theory (DFT), are used as direct inputs to three-dimensional finite-difference time-domain (FDTD) simulations. Independent parametric sweeps are performed over ring waveguide width (500-900 nm), coupling gap (150-300 nm), and bend radius (5-20 um). At the balanced operating point of 600 nm ring width, 200 nm gap, and 10 um radius, the device achieves a loaded quality factor Q approx 5386, a free spectral range of 11.3 nm, a drop-port extinction ratio of 32.2 dB, and a finesse of 95.8. The coupling-gap sweep reveals the full transition from over-coupled through critically coupled to under-coupled operation, with the critical point occurring near 200 nm. A pronounced bending-loss threshold is observed between 5 and 10 um, below which all performance metrics degrade rapidly. These results provide the first systematic geometry-performance map for Cs$_3$Cu$_2$Cl$_5$ based microring resonators. Cross-platform validation using Tidy3D reproduces the spectral characteristics of the optimized device, and inverse design of the bus coupling region yields an additional 3 percent improvement in drop-port power transfer.