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中国物理学会期刊

-AlON晶体电子结构和光学性质研究

CSTR: 32037.14.aps.61.027101

Study of electronic structure and optical propertise of -AlON crystal

CSTR: 32037.14.aps.61.027101
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  • 本研究在基于第一性原理的密度泛函理论(DFT)框架下, 采用局域密度近似(LDA)和赝势平面波方法, 计算了平衡结构尖晶石型 -AlON的态密度和光学性质参数.结合表征电子结构的态密度, 分析了 -AlON在030 eV范围内的复介电函数以及由其导出的折射率、反射谱、 吸收谱等.理论计算得出: -AlON零频介电常数1(0)=2.60, 折射率n0=1.61, 在红外到近紫外以及20.23 eV以上的紫外波段,其光吸收趋近于零, 表现为光学透明. 理论计算结果与相关实验数据相一致, 为 -AlON在光学窗口及头罩材料等方面的应用提供了理论依据和参考.

     

    Based on the density function theory, the electronic structure, densities of states, and optical properties of -AlON are calculated by using the local density approximation and plane-wave pseudoptential method. The complex dielectric functions and the optical properties including refractive index, reflection spectra, absorption spectra of -AlON are analyzed in terms of calculated density of state. As shown by the theoretical calculation, the static dielectric function of -AlON is 1(0)=2.60, and the refractive index is n0=1.61, its absorptions in a range from IR to NUV and a UV range up to 20.23eV all approach to zero, showing the optical transparent behaviors . The calculated results are consistent with relevant experimental values, providing theoretical basis and reference for the application of the optical material to windows and domes.

     

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