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Electronic structure of GaN studied with electron energy loss spectroscopy and density functional theory

机译:电子能量损失光谱和密度泛函理论研究GaN的电子结构

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The Electron Energy Loss Near -Edge Structure (ELNES) is related to a site- and symmetry-projected, unoccupied density of states (DOS). Therefore, it contains information about the electronic structure and interatomic bonding of materials. In this work, GaN, an important light-emitting semiconductor, is studied. Experimental spectra are compared to theoretical spectra, based on a calculation of the DOS, and excellent agreement is observed when the effects of the core-hole are included. The anisotropy of the electronic structure is also investigated and a discussion of the nature of the bonding in GaN is given.
机译:- Edge-Adge Arcuity(ELNES)附近的电子能量损失与位点和对称投影的未占用的状态(DOS)有关。因此,它包含有关材料的电子结构和内部键合的信息。在这项工作中,研究了GaN,这是一个重要的发光半导体。将实验光谱与理论光谱进行比较,基于DOS的计算,并且当包括芯孔的效果时,观察到优异的协议。还研究了电子结构的各向异性,并给出了GaN中粘合性质的讨论。

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