Dresden 2014 – wissenschaftliches Programm
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HL: Fachverband Halbleiterphysik
HL 107: Poster: Emerging oxide semiconductors / Oxides other than ZnO and its relatives
HL 107.14: Poster
Donnerstag, 3. April 2014, 17:00–20:00, P1
Electronic and optical properties of Ga2O3 — •Jürgen Furthmüller and Friedhelm Bechstedt — IFTO, FSU Jena, Max-Wien-Platz 1, D-07743 Jena, Germany
We present first-principles calculations of the electronic structure and optical properties of the monoclinic β-Ga2O3 phase which is the only stable polymorph under ambient conditions. In addition, we also study the metastable rhombohedral α-Ga2O3 (corundum-type) structure and compare the properties of the two polymorphs. Quasi-particle band structures on G0W0 level and excitonic spectra on BSE level are presented. It is demonstrated that these two polymorphs of Ga2O3 differ mainly in their optical anisotropies. Isotropically averaged optical properties and in particular densities of states look quite similar. This can also be shown for more complicated polymorphs on DFT level (where a treatment on GW and BSE level is imposible).