布里渊区
电子能带结构
带隙
混乱
单斜晶系
凝聚态物理
物理
材料科学
光学
晶体结构
结晶学
化学
心理学
精神分析
作者
Hartwin Peelaers,Chris G. Van de Walle
标识
DOI:10.1002/pssb.201451551
摘要
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.
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