Machine learning based prediction of optical properties in two-dimensional Mo-W-S-Se-Te transition-metal dichalcogenide alloys through physics-informed sampling

Two-dimensional transition-metal dichalcogenide (TMD) alloys provide a compositionally tunable platform for controlling the optical and electronic properties.

Two-dimensional transition-metal dichalcogenide (TMD) alloys provide a compositionally tunable platform for controlling the optical and electronic properties. However, systematic prediction of their dielectric response across multicomponent alloy spaces remains challenging owing…