Design Rules for Nonlinear Optical Materials: Dimensionality, Interfaces, Topological Band Geometry and Data-Driven Discovery

Key Points

• This research aims to explore key design principles for enhancing nonlinear optical materials.
• Developed theoretical models to analyze dimensionality and interfaces of materials.
• Utilized data-driven approaches for material discovery and optimization.
• Evaluated performance metrics for frequency conversion and modulation.
• Identified critical design aspects like topological band geometry that influence optical properties.
• Demonstrated improved tunability and integration of NLO materials compared to traditional bulk crystals.
• Highlighted the feasibility of using data-driven methods for predicting material effectiveness.