论文标题
基于DFT计算的短期Znse/Znte超晶格的电子结构
Electronic structure of short-period ZnSe/ZnTe superlattices based on DFT calculations
论文作者
论文摘要
在本研究中，我们讨论了单层$ n $数量变化对超级晶格（SLS）（ZNSE）的电子和光学性质的影响，$ _ n $/（Znte）$ _ n $。总能量是通过全电力线性松饼轨道（FP-LMTO）方法计算的，并在局部密度近似（LDA）中应用了交换 - 相关能。首先，计算显示散装模量和电子带隙的导数减少，单层$ n $的数量增加。其次，研究了辐射能量$ 15 $ eV，介电函数$ \ varepsilon（ω$），折射率$ n（ω）$和反射率$ r（ω）$。这些计算可能有益于了解短期超级晶格（ZNSE）$ _ n $/（znte）$ _ n $的属性。
In the present study we discuss the effect of variation in the number of monolayers $n$ on the electronic and optical properties of superlattices (SLs) (ZnSe)$_n$/(ZnTe)$_n$. The total energies were calculated by the full-potential linear muffin-tin orbital (FP-LMTO) method, and the exchange-correlation energy was applied in the local density approximation (LDA). First, the calculations show a decrease in the derivative of bulk modulus and electronic bandgap with an increase in the number of monolayers $n$. Second, the radiation energies up to $15$ eV, the dielectric function $\varepsilon(ω$), the refractive index $n(ω)$, and the reflectivity $R(ω)$ are studied. These calculations may be beneficial to understand the properties of short-period superlattices (ZnSe)$_n$/(ZnTe)$_n$.
