Local atomic structure analysis around Mg atom doped in GaN by X-ray absorption spectroscopy and spectrum simulations,Journal of Synchrotron Radiation

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Local atomic structure analysis around Mg atom doped in GaN by X-ray absorption spectroscopy and spectrum simulations
Journal of Synchrotron Radiation ( IF 2.4 ) Pub Date : 2021-05-27 , DOI: 10.1107/s1600577521004008
Noritake Isomura ₁ , Yasuji Kimoto ₁

Affiliation

The identification of the incorporated site of magnesium (Mg) and hydrogen (H) required for p-type formation in gallium nitride (GaN) power devices has been demonstrated by X-ray absorption spectroscopy (XAS). In this study, the fluorescence line of Mg with 3 × 10¹⁹ atoms cm⁻³ was successfully separated from that of Ga using a superconducting tunnel junction array detector with high sensitivity and high energy resolution, and consequently the Mg K-edge XAS spectra of such dilute samples were obtained. The site of Mg atoms incorporated into the GaN lattice was identified as the Ga substitutional site by comparing the experimental XAS spectrum with the simulated spectra calculated by density functional theory. In addition, the presence or absence of H around Mg can be determined through distinctive characteristics expected from the spectrum simulations.

中文翻译：

通过 X 射线吸收光谱和光谱模拟分析掺杂在 GaN 中的 Mg 原子周围的局部原子结构

X 射线吸收光谱 (XAS) 证明了在氮化镓 (GaN) 功率器件中形成 p 型所需的镁 (Mg) 和氢 (H) 结合位点的鉴定。在这项研究中，使用高灵敏度和高能量分辨率的超导隧道结阵列探测器成功地将3 × 10 ¹⁹ 原子 cm ^-3 Mg 的荧光线与Ga的荧光线分离，从而使 Mg K获得了这种稀释样品的 -edge XAS 光谱。通过将实验 XAS 光谱与密度泛函理论计算的模拟光谱进行比较，将 Mg 原子结合到 GaN 晶格中的位置确定为 Ga 置换位点。此外，Mg 周围是否存在 H 可以通过光谱模拟中预期的独特特征来确定。

更新日期：2021-07-24

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