The geometric structure, energy band structure, electronic state density and optical properties of undoped, Al single-doped, Eu single-doped and Al-Eu co-doped ZnO were systematically investigated by using first principles. From the analysis of the results before and after doping, it is found that the conduction band of the doped system moves to the low energy direction, and the Fermi level enters the conduction band, showing the properties of a n-type semiconductor. In terms of optical properties, the absorption coefficient and reflectivity of Al-ZnO in the visible light region are very low, indicating that it has a high light transmittance in the visible light region. On the contrary, Eu-ZnO and (Al, Eu)-ZnO have very high absorption coefficients and reflectivity in the visible and ultraviolet regions, and the absorption span is significantly larger than that of intrinsic ZnO. This provides a certain theoretical reference for the study of new light protection devices.

中文翻译：

---

Al、Eu 单掺杂和 Al-Eu 共掺杂 ZnO 的电子和光学特性

利用第一性原理系统地研究了未掺杂、Al单掺杂、Eu单掺杂和Al-Eu共掺杂ZnO的几何结构、能带结构、电子态密度和光学性质。从掺杂前后的结果分析发现，掺杂体系的导带向低能量方向移动，费米能级进入导带，表现出n型半导体的性质。在光学性能方面，Al-ZnO在可见光区的吸收系数和反射率很低，说明它在可见光区具有较高的透光率。相反，Eu-ZnO 和 (Al, Eu)-ZnO 在可见光和紫外区具有非常高的吸收系数和反射率，吸收跨度明显大于本征 ZnO。这为新型光保护器件的研究提供了一定的理论参考。