First-principles investigations and MOCVD growth of Si-doped β-Ga2O3 thin films on sapphire substrates for enhancing Schottky barrier diode characteristics

Abstract

In the realm of high-power electronics, the potential of gallium oxide (β-Ga2O3) as a front-runner material has garnered significant attention due to its wide bandgap and the capacity to withstand high critical electric fields. To push the boundaries of performance for β-Ga2O3 devices, a meticulous exploration into the effects of silicon (Si) doping on β-Ga2O3 films was carried out using the metalorganic chemical vapor deposition (MOCVD) technique with various tetraethoxysilane (TEOS) flow rates (0–30 sccm). The Si-doped β-Ga2O3 films were systematically studied and characterized using XRD, SEM, and XPS techniques. XRD patterns demonstrated the preservation of the β-Ga2O3 monoclinic structure in the Si-doped β-Ga2O3 films, without any evidence of secondary phases. In addition to this, first-principles calculations were performed to explore the incorporation of Si atoms in Ga2O3 supercells, which revealed the preference of Si atoms to occupy substitutional Ga tetrahedral sites within the Ga2O3 lattice. Through the utilization of Si-doped β-Ga2O3 films, a unique design of donut-shaped Schottky barrier diode (SBD) was successfully engineered. Remarkably, the Si-doped β-Ga2O3 SBD (employed with 20 sccm TEOS flow rate) exhibited the breakdown voltage (Vbr) of 497 V and Baliga's Figure of Merit (BFOM) value of 1.16 kW/cm2, which is five-order higher BFOM compared to undoped β-Ga2O3 SBD. This substantial improvement in BFOM underscores the significant potential of Si-doped β-Ga2O3 films for high-power electronics, opening avenues for enhanced device efficiency and capabilities.