A semiconductor Sc2S3 monolayer with ultrahigh carrier mobility for UV blocking filter application

Abstract

For humans, ultraviolet (UV) light from sun is harmful to our eyes and eye-related cells. This detrimental fact requires scientists to search for a material that can efficiently absorb UV light while allowing lossless transmission of visible light. Using an unbiased first-principles swarm intelligence structure search, we explored two-dimensional (2D) Sc–S crystals and identified a novel Sc₂S₃ monolayer with good thermal and dynamical stability. The optoelectronic property simulations revealed that the Sc₂S₃ monolayer has a wide indirect bandgap (3.05 eV) and possesses an ultrahigh carrier mobility (2.8 × 10³ cm² V⁻¹ s⁻¹). Remarkably, it has almost transparent visible light absorption, while it exhibits an ultrahigh absorption coefficient up to × 10⁵ cm⁻¹ in the ultraviolet region. Via the application of biaxial strain and thickness modulation, the UV light absorption coefficients of Sc₂S₃ can be further improved. These findings manifest an attractive UV blocking optoelectronic characteristic of the Sc₂S₃ configuration as a prototypical nanomaterial for the potential application in UV blocking filters.