Abstract
Traditional ferroelectric perovskite oxides are often limited by their wide band gaps, which restrict their efficient use of visible light. Pna21-LaWN3, an innovative perovskite nitride featuring a polar structure, has been investigated for its electronic structure, ferroelectric properties, and photovoltaic performance through Density Functional Theory (DFT) analysis. Our calculations reveal that Pna21-LaWN3 exhibits promising ferroelectric properties, primarily driven by the interaction between W and N atoms. Notably, Pna21-LaWN3 possesses a direct bandgap around 1.3 eV, coupled with a high absorption coefficient, making it highly efficient in absorbing visible light. SLME (Spectroscopic Limited Maximum Efficiency) analysis indicates that Pna21-LaWN3 can achieve significant short-circuit current, with a photoelectric conversion efficiency nearing 32 %, thus emerging as an outstanding candidate for ferroelectric photovoltaic applications. The study underscores the potential of Pna21-LaWN3 in overcoming the limitations of traditional ferroelectric materials and paves the way for its use in high-efficiency solar energy harvesting.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call