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- ItemAnisotropic optical properties of highly doped rutile SnO2: Valence band contributions to the Burstein-Moss shift(New York : American Institute of Physics, 2018) Feneberg, Martin; Lidig, Christian; White, Mark E.; Tsai, Min Y.; Speck, James S.; Bierwagen, Oliver; Galazka, Zbigniew; Goldhahn, RüdigerThe interband absorption of the transparent conducting semiconductor rutile stannic oxide (SnO2) is investigated as a function of increasing free electron concentration. The anisotropic dielectric functions of SnO2:Sb are determined by spectroscopic ellipsometry. The onsets of strong interband absorption found at different positions shift to higher photon energies with increasing free carrier concentration. For the electric field vector parallel to the optic axis, a low energy shoulder increases in prominence with increasing free electron concentration. We analyze the influence of different many-body effects and can model the behavior by taking into account bandgap renormalization and the Burstein-Moss effect. The latter consists of contributions from the conduction and the valence bands which can be distinguished because the nonparabolic conduction band dispersion of SnO2 is known already with high accuracy. The possible originsof the shoulder are discussed. The most likely mechanism is identified to be interband transitions at jkj > 0 from a dipole forbidden valence band.
- ItemOptical properties of In2O3 from experiment and first-principles theory: influence of lattice screening([Bad Honnef] : Dt. Physikalische Ges., 2018) Schleife, André; Neumann, Maciej D.; Esser, Norbert; Galazka, Zbigniew; Gottwald, Alexander; Nixdorf, Jakob; Goldhahn, Rüdiger; Feneberg, MartinThe framework of many-body perturbation theory led to deep insight into electronic structure and optical properties of diverse systems and, in particular, many semiconductors. It relies on an accurate approximation of the screened Coulomb electron–electron interaction W, that in current implementations is usually achieved by describing electronic interband transitions. However, our results for several oxide semiconductors indicate that for polar materials it is necessary to also account for lattice contributions to dielectric screening. To clarify this question in this work, we combine highly accurate experimentation and cutting-edge theoretical spectroscopy to elucidate the interplay of quasiparticle and excitonic effects for cubic bixbyite In2O3 across an unprecedentedly large photon energy range. We then show that the agreement between experiment and theory is excellent and, thus, validate that the physics of quasiparticle and excitonic effects is described accurately by these first-principles techniques, except for the immediate vicinity of the absorption onset. Finally, our combination of experimental and computational data clearly establishes the need for including a lattice contribution to dielectric screening in the screened electron–electron interaction, in order to improve the description of excitonic effects near the absorption edge.