Origins of optical absorption and emission lines in AlN
Origins of optical absorption and emission lines in AlN
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DOI：
10.1063/1.4895786
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发表时间：
2014-09-15
影响因子：
4
通讯作者：
Van de Walle, Chris G.
中科院分区：
文献类型：
--
作者：
Yan, Qimin;Janotti, Anderson;Van de Walle, Chris G.
为了帮助氮化铝基光电子学的发展，必须识别引起不必要光吸收的缺陷并将其影响降至最低。利用杂化泛函计算，我们研究了本征缺陷及其与氧的络合物的作用，氧是氮化铝中的一种常见杂质。我们发现Al空位是辐照样品中3.4 eV吸收峰和2.78 eV发光信号的来源。在高氧浓度的AlN样品中观察到类似于4.0 eV或更高的吸收峰，以及3.2和3.6 eV附近的发光信号，这归因于Al空位和氧杂质的络合物。我们还提出了一个涉及Al和N空位和氧杂质的转变，这可能是吸收带峰值在2.9 eV的原因。(C)2014 AIP出版有限责任公司。
To aid the development of AlN-based optoelectronics, it is essential to identify the defects that cause unwanted light absorption and to minimize their impact. Using hybrid functional calculations, we investigate the role of native defects and their complexes with oxygen, a common impurity in AlN. We find that Al vacancies are the source of the absorption peak at 3.4 eV observed in irradiated samples and of the luminescence signals at 2.78 eV. The absorption peak at similar to 4.0 eV and higher, and luminescence signals around 3.2 and 3.6 eV observed in AlN samples with high oxygen concentrations are attributed to complexes of Al vacancies and oxygen impurities. We also propose a transition involving Al and N vacancies and oxygen impurities that may be a cause of the absorption band peaked at 2.9 eV. (C) 2014 AIP Publishing LLC.