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arXiv 2512.03390cond-mat.mtrl-sci
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AlN和Al-rich AlGaN中浅n型掺杂的起源

Origin of shallow n-type doping in AlN and Al-rich AlGaN

Yujie Liu, Sieun Chae, Emmanouil Kioupakis

AI总结:

通过研究AlN中的亚稳态缺陷,发现铝间隙在特定条件下可作为浅施主,提升AlN的n型掺杂能力。

摘要:

在AlN这种典型的超宽禁带半导体中,实现高效的n型掺杂仍然是一个长期存在的挑战,限制了其在高功率电子和深紫外光电子领域的应用。AlN中的传统掺杂剂往往引入深能级或形成补偿复合物,导致自由载流子浓度低。在本工作中,我们结合第一性原理缺陷计算与一种针对探索亚稳态配置的结构搜索方法,系统地研究了AlN中的施主型缺陷。我们的结果表明,在特定的亚稳态配置中,铝间隙(Al_i)可以表现出浅施主行为,这种配置此前被忽视。这一发现扩展了对AlN中n型掺杂能力的理解,并突显了亚稳态缺陷在调节电子性质中的关键作用。

英文摘要:

Achieving efficient n-type doping in AlN, a representative ultrawide bandgap (UWBG) semiconductor, remains a longstanding challenge that limits its application in high-power electronics and deep-ultraviolet optoelectronics. Conventional dopants in AlN often introduce deep levels or form compensating complexes, leading to low free-carrier concentrations. In this work, we combine first-principles defect calculations with a structural search method tailored to explore metastable configurations to systematically investigate donor-type defects in AlN. Our results reveal that the aluminum interstitial ($Al_i$) can exhibit shallow-donor behavior in specific metastable configurations that were previously overlooked. This discovery expands the understanding of n-type dopability in AlN, and highlights the critical role of metastable defects in modulating electronic properties.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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