Brillouin zone and band structure of β-Ga2O3

被引：253
|
作者：
Peelaers, Hartwin [1 ]
Van de Walle, Chris G. [1 ]
机构：
[1] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA
来源：
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2015年 / 252卷 / 04期
基金：
美国国家科学基金会;
关键词：
band gap; Brillouin zone; first-principles calculations; gallium oxide; monoclinic structures; BILBAO CRYSTALLOGRAPHIC SERVER; CRYSTAL; ABSORPTION; GROWTH; EDGE;
D O I：
10.1002/pssb.201451551
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
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 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
引用
收藏
页码：828 / 832
页数：5
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