Abstract In our previous study, we employed the ab initio molecular dynamics method to confirm experimental observations that the radiation resistance of the GaAs/AlAs superlattice is enhanced by the introduction of Ga to the AlAs layer. However, the radiation performances of GaAs/AlAs and GaAs/AlGaAs superlattices under the external conditions, such as temperature and higher radiation energy, remain unclear. The present results of ab initio molecular dynamics demonstrate that the temperature has slight effects on the threshold displacement energy of GaAs/AlAs and GaAs/AlGaAs superlattices. Moreover, there are generally more defects in the GaAs/AlAs superlattice at higher radiation energies, whereas the associated defects in the GaAs/AlGaAs superlattice generally remain unchanged. These results indicate that the GaAs/AlGaAs superlattice generally behaves more robustly at higher radiation energies, which is similar to the experimental observation and our previous study. The results reveal that the GaAs/AlGaAs superlattice is the more promising material for the current electronic and optical applications and will be beneficial to design highly radiation-resistant semiconductor superlattices for their applications as optical and electronic devices.

中文翻译：

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温度和能量对 GaAs/AlAs 和 GaAs/AlGaAs 超晶格辐射响应的影响

摘要 在我们之前的研究中，我们采用 ab initio 分子动力学方法来证实实验观察结果，即通过将 Ga 引入 AlAs 层来增强 GaAs/AlAs 超晶格的辐射电阻。然而，GaAs/AlAs和GaAs/AlGaAs超晶格在温度和更高辐射能量等外部条件下的辐射性能仍不清楚。从头分子动力学的当前结果表明，温度对 GaAs/AlAs 和 GaAs/AlGaAs 超晶格的阈值位移能有轻微影响。此外，在较高辐射能量下，GaAs/AlAs 超晶格中通常存在更多缺陷，而 GaAs/AlGaAs 超晶格中的相关缺陷通常保持不变。这些结果表明 GaAs/AlGaAs 超晶格在更高的辐射能量下通常表现得更稳健，这与实验观察和我们之前的研究相似。结果表明，GaAs/AlGaAs 超晶格是目前电子和光学应用中更有前景的材料，将有利于设计高抗辐射半导体超晶格，用于其作为光学和电子器件的应用。