【Others Papers】A comprehensive study on the electronic and photoelectric properties of Sn-doped β-Ga₂O₃ by combining first-principles calculation and experiments

      Researchers from the Liaoning Normal University have published a dissertation titled "A comprehensive study on the electronic and photoelectric properties of Sn-doped β-Ga₂O₃ by combining first-principles calculation and experiments" in Materials Today Chemistry.

Abstract

      β-Ga₂O₃, with its ultra-wide bandgap (∼4.8–5.3 eV) and high breakdown electric field, has attracted significant attention as a next-generation material for power electronics and solar-blind UV photodetectors. However, its inherently low electrical conductivity limits device performance, making controlled doping strategies crucial for tailoring its optoelectronic properties. Here, we report a systematic investigation of Sn-doped β-Ga₂O₃, combining density functional theory calculations with experimental magnetron sputtering. First-principles calculations reveal that Sn substitution at the octahedral Ga site lowers the conduction band minimum via Sn-5s states, resulting in bandgap narrowing from 5.13 eV (undoped) to 4.25 eV (5 at% Sn). Increasing Sn concentration raises the Fermi level, reduces the effective electron mass, and enhances carrier mobility and conductivity. Optical simulations show anisotropic dielectric responses and a redshifted absorption edge due to impurity levels. Experimentally, Sn-doped films exhibit improved crystallinity, larger grain sizes, and enhanced solar-blind UV photodetection: the optimal 2.65 at% Sn device achieves a responsivity of 0.183 A/W and detectivity of 1.9 × 10¹¹ Jones under 254 nm illumination. Our work provides insights into doping-induced control of β- Ga₂O₃ properties and guides the design of high-performance UV photodetectors.

DOI：

https://doi.org/10.1016/j.mtchem.2025.103189