Co-doping of magnesium with indium in nitrides: first principle calculation and experiment
Co-doping of magnesium with indium in nitrides: first principle calculation and experiment
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DOI：
10.1039/c5ra24642c
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发表时间：
2016-01
期刊：
影响因子：
3.9
通讯作者：
Zhiqiang Liu;B. Fu;X. Yi;G. Yuan;Junxi Wang;Jinmin Li;Luna;I. Ferguson
中科院分区：
文献类型：
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作者：
Zhiqiang Liu;B. Fu;X. Yi;G. Yuan;Junxi Wang;Jinmin Li;Luna;I. Ferguson
在这项工作中，提出了一种在宽带隙氮化物半导体中实现有效p型掺杂的有效策略，以克服高活化能的基本问题。我们证明，通过 In-Mg 共掺杂可以实现高达 1.4 × 1018 cm−3 的空穴浓度。通过第一原理计算分析了系统的电子结构和杂质的形成能，以澄清基础物理和理解高空穴浓度起源的模糊性。我们的结果表明，主体材料的原始价带最大值可以被修改，从而提高p型掺杂性。我们发现，计算出的受体电离能 e(−/0) 仅约为 135 meV，远小于孤立的 Mg 受体。
In this work, an effective strategy for achieving efficient p-type doping in wide bandgap nitride semiconductors was proposed to overcome the fundamental issue of high activation energy. We demonstrated that a hole concentration as high as 1.4 × 1018 cm−3 could been achieved through In–Mg co-doping. The electronic structure of the system and the formation energy of impurity were analyzed via first principle calculation to clarify the underlying physics and the ambiguity in understanding of the origin of the high hole concentration. Our results indicated that the original valence band maximum of the host materials could be modified, thus improving the p-type dopability. We showed that the calculated ionization energy e(−/0) of acceptor is only about 135 meV, which is much smaller than that of the isolated Mg acceptor.