Self-absorption effect in soft X-ray emission spectra utilized for bandgap evaluation of semiconductors.

Masami Terauchi, Yohei K Sato
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Abstract

The self-absorption effects observed in the background intensity just above the Si L-emission spectra of Si and β-Si3N4, and the C K-emission spectra of diamond and graphite were examined. Based on comparisons with reported results, the energy positions of absorption edges - representing the bottom of conduction bands (CBs) - were assigned. The self-absorption profiles in the background intensities were consistent with previously reported data. The simultaneous observation of valence band and CB edges allowed the determination of a bandgap energy of 1.1 eV for Si, which agrees with the indirect bandgap energy of Si. For β-Si3N4, the bandgap energy was evaluated as 5.1 eV. For diamond, the edge positions were matched with reported values, and the bandgap energy was calculated to be 5.0 eV, slightly smaller than the optical gap of 5.5 eV. These observations suggest that both edges can be expected for semiconductors in principle. On the other hand, C K-emission spectrum of graphite, a semimetal also showed an edge structure, which was assigned to the self-absorption edge due to the transitions from 1s to σ* antibonding state of sp2 bonding.

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软x射线发射光谱中的自吸收效应用于半导体带隙评价。
在Si和β-Si3N4的Si - l发射光谱和金刚石和石墨的C - k发射光谱上方的背景强度处观察到自吸收效应。根据与报告结果的比较,分配了代表传导带(CB)底部的吸收边的能量位置。背景强度下的自吸收曲线与先前报道的数据一致。同时观察价带(VB)和价带(CB)的边缘,可以确定Si的带隙能为1.1 eV,这与Si的间接带隙能一致。β-Si3N4的能带能为5.1 eV。对于金刚石,边缘位置与报道值相匹配,计算出带隙能量为5.0 eV,略小于光隙5.5 eV。这些观测结果表明,这两种边缘观测在原则上都可以用于半导体。另一方面,半金属石墨的C - k发射光谱也表现出边缘结构,由于sp2键从1s到σ*反键态的转变,该边缘结构属于自吸收边缘。
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