电子结构
同步辐射
材料科学
密度泛函理论
半导体
电子能带结构
带隙
X射线光电子能谱
光电子学
价(化学)
光谱学
光电发射光谱学
投影机
原子物理学
光学
化学
凝聚态物理
物理
计算化学
核磁共振
有机化学
量子力学
作者
Mansour Mohamed,C. Janowitz,I. Unger,R. Manzke,Zbigniew Galazka,R. Uecker,R. Fornari,J. R. Weber,Joel B. Varley,Chris G. Van de Walle
摘要
β -Ga 2 O 3 has the widest energy gap of the transparent conducting oxides. The interest in its electronic properties has recently increased because of its applications in various optoelectronic devices, semiconductor lasers, and ultrasensitive gas detecting systems. In contrast, information on the electronic structure of β-Ga2O3 is very scarce. Here, we present the experimental valence-band structure of β-Ga2O3 single crystals determined by high-resolution angle-resolved photoelectron spectroscopy utilizing synchrotron radiation. We find good matching of the experimental band structure with the advanced density functional theory calculations employing hybrid functionals and projector augmented wave potentials.
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