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Brillouin zone and band structure of β‐Ga 2 O 3
Author(s) -
Peelaers Hartwin,
Van de Walle Chris G.
Publication year - 2015
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201451551
Subject(s) - brillouin zone , electronic band structure , band gap , confusion , monoclinic crystal system , condensed matter physics , physics , materials science , optics , crystal structure , crystallography , chemistry , psychology , psychoanalysis
Gallium oxide is increasingly used in a variety of applications, but confusion reigns over the Brillouin zone and the band structure of monoclinic β‐Ga 2 O 3 . 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.