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Register a new userBand-to-band transitions, selection rules, effective mass and exciton binding energy parameters in monoclinic beta-Ga2O3
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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 beta-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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We use a combined generalized spectroscopic ellipsometry and density functional theory approach to determine and analyze the anisotropic dielectric functions of an $alpha$-Ga$_2$O$_3$ 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 0.73 eV to 8.75 eV 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, $E_{0,perp}=5.46(6)$ eV and $E_{0,perp}=6.04(1)$ eV, and one direct band-to-band transition with $M_1$-type van Hove singularity for polarization parallel with $E_{0,||}=5.44(2)$ eV. We further identify excitonic contributions with small binding energy of 7 meV associated with the lowest ordinary transition, and a hyperbolic exciton at the $M_1$-type critical point with large binding energy of 178 meV.
Direct-gap materials hold promises for excitonic insulator. In contrast to indirect-gap materials, here the difficulty to distinguish from a Peierls charge density wave is circumvented. However, direct-gap materials still suffer from the divergence of polarizability when the band gap approaches zero, leading to diminishing exciton binding energy. We propose that one can decouple the exciton binding energy from the band gap in materials where band-edge states have the same parity. First-principles calculations of two-dimensional GaAs and experimentally mechanically exfoliated single-layer TiS 3 lend solid supports to the new principle.
Gallium oxide epitaxial layers grown on native substrates and basal plane sapphire were characherized by X-ray phtotelectron and optical reflectance spectroscopies. The XPS electronic structure mapping was coupled to Density functional theory calculations.
By combining temperature-dependent resistivity and Hall effect measurements, we investigate donor state energy in Si-doped b{eta}-Ga2O3 films grown using metal-organic vapor phase epitaxy (MOVPE). High magnetic field Hall effect measurements (H = +/-90 kOe) showed non-linear Hall resistance for T < 150 K revealing two-band conduction. Further analyses revealed carrier freeze-out characteristics in both bands yielding donor state energies of ~ 33.7 and ~ 45.6 meV. The former is consistent with the donor energy of Si in b{eta}-Ga2O3 whereas the latter suggests a residual donor state, likely associated with a DX center. This study provides a critical insight into the impurity band conduction and the defect energy states in b{eta}-Ga2O3 using high-field magnetotransport measurements.
Low-dimensional materials differ from their bulk counterpart in many respects. In particular, the screening of the Coulomb interaction is strongly reduced, which can have important consequences such as the significant increase of exciton binding energies. In bulk materials the binding energy is used as an indicator in optical spectra to distinguish different kinds of excitons, but this is not possible in low-dimensional materials, where the binding energy is large and comparable in size for excitons of very different localization. Here we demonstrate that the exciton band structure, which can be accessed experimentally, instead provides a powerful way to identify the exciton character. By comparing the ab initio solution of the many-body Bethe-Salpeter equation for graphane and single-layer hexagonal BN, we draw a general picture of the exciton dispersion in two-dimensional materials, highlighting the different role played by the exchange electron-hole interaction and by the electronic band structure. Our interpretation is substantiated by a prediction for phosphorene.
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