Zinc gallate spinel dielectric function, band-to-band transitions, and Gamma-point effective mass parameters

• We determine the dielectric function of the emerging ultrawide bandgap semiconductor ZnGa2O4 from the near-infrared (0.75eV) into the vacuum ultraviolet (8.5eV) spectral regions using spectroscopic ellipsometry on high quality single crystal substrates. We perform density functional theory calculations and discuss the band structure and the Brillouin zone Gamma-point band-to-band transition energies, their transition matrix elements, and effective band mass parameters. We find an isotropic effective mass parameter (0.24m(e)) at the bottom of the Gamma-point conduction band, which equals the lowest valence band effective mass parameter at the top of the highly anisotropic and degenerate valence band (0.24m(e)). Our calculated band structure indicates the spinel ZnGa2O4 is indirect, with the lowest direct transition at the Gamma-point. We analyze the measured dielectric function using critical-point line shape functions for a three-dimensional, M-0-type van Hove singularity, and we determine the direct bandgap with an energy of 5.27(3) eV. In our model, we also consider contributions from Wannier-Mott type excitons with an effective Rydberg energy of 14.8meV. We determine the near-infrared index of refraction from extrapolation (1.91) in very good agreement with results from recent infrared ellipsometry measurements (root epsilon(infinity)= 1.94) [M. Stokey, Appl. Phys. Lett. 117, 052104 (2020)]. Published under license by AIP Publishing.

Ämnesord

NATURVETENSKAP  -- Fysik -- Subatomär fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Subatomic Physics (hsv//eng)

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