Anisotropic dielectric functions, band-to-band transitions, and critical points in α-Ga2O3

We use a combined generalized spectroscopic ellipsometry and density functional theory approach to determine and analyze the anisotropic dielectric functions of an alpha -Ga2O3 thin film. The sample is grown epitaxially by plasma-assisted molecular beam epitaxy on m-plane sapphire. Generalized spectroscopic ellipsometry data from multiple sample azimuths in the spectral range from 0.73eV to 8.75eV are simultaneously analyzed. Density functional theory is used to calculate the valence and conduction band structure. We identify, for the indirect-bandgap material, two direct band-to-band transitions with M-0-type van Hove singularities for polarization perpendicular to the c axis, E 0 , perpendicular to = 5.46 ( 6 ) eV and E 0 , perpendicular to = 6.04 ( 1 ) eV, and one direct band-to-band transition with M-1-type van Hove singularity for polarization parallel to E 0 , | | = 5.44 ( 2 ) eV. We further identify excitonic contributions with a small binding energy of 7meV associated with the lowest ordinary transition and a hyperbolic exciton at the M-1-type critical point with a large binding energy of 178meV.

Automated summary

In this study, a combined approach of generalized spectroscopic ellipsometry and density functional theory was used to analyze the anisotropic dielectric functions of an alpha-Ga2O3 thin film. Multiple direct band-to-band transitions and excitonic contributions were identified, shedding light on the bandgap properties and optical characteristics of the material.