Strong Optical Absorption in Cubic RaMS 3 Chalcogenide Perovskites for Optoelectronic Applications: A First-Principles DFT Study

Key Points

• The aim is to investigate the electronic and optical properties of cubic chalcogenide perovskites through first-principles DFT calculations.
• Conducted first-principles density functional theory (DFT) calculations to analyze optical absorption.
• Examined the effects of chalcogen-based bonding and cation chemistry on properties.
• Demonstrated strong optical absorption in cubic chalcogenide perovskites.
• Found that the optical and electronic properties can be tuned through various cation compositions.