Brillouin zone and band structure of β-Ga2O3

Gallium oxide is increasingly used in a variety of applications, but confusion reigns over the Brillouin zone and the band structure of monoclinic beta-Ga2O3. We present a detailed study of the shape of the Brillouin zone and the location of high-symmetry points. Combined with a study of electronic structure based on hybrid density functional theory, this allows us to derive an accurate band structure. We discuss the nature of the band gap and the location of the band extrema. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim