Band-to-band transitions, selection rules, effective mass and exciton binding energy parameters in monoclinic β-Ga2O3

Abstract

We employ an eigen polarization model including the description of direction dependent excitonic effects for rendering critical point structures within the dielectric function tensor of monoclinic β-Ga2O3 yielding a comprehensive analysis of generalized ellipsometry data obtained from 0.75 eV--9 eV. The eigen polarization model permits complete description of the dielectric response, and we obtain single-electron and excitonic band-to-band transition anisotropic critical point structure model parameters including their polarization eigenvectors within the monoclinic lattice. We compare our experimental analysis with results from density functional theory calculations performed using a recently proposed Gaussian-attenuation-Perdue-Burke-Ernzerhof hybrid density functional, and we present and discuss the order of the fundamental direct band-to-band transitions and their polarization selection rules, the electron and hole effective mass parameters for the three lowest band-to-band transitions, and their exciton binding energy parameters, in excellent agreement with our experimental results. We find that the effective masses for holes are highly anisotropic and correlate with the selection rules for the fundamental band-to-band transitions, where the observed transitions are polarized closely in the direction of the lowest hole effective mass for the valence band participating in the transition.

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