多型纳米晶须：能带边缘附近的电子性质
Polytypic nanowhiskers: electronic properties in the vicinity of the band edges
摘要：
纳米晶须的技术应用的兴趣日益增加，导致观察到的锌共混物/纤锌矿多型性。多型纳米晶须也可以通过它们的特性在光学和电子器件的设计中发挥重要作用。在这项工作中，我们提出了一个理论模型来计算多型锌混合物/纤锌矿结构的带边附近的电子性质。我们的配方是基于$\vec{k} \cdot \vec{p}$方法连接的两个不同的结晶相的界面中的不可约表示的群论参数。通过分析$Γ$点的态组成和包络函数的重叠积分，预测了与实验光致发光光谱一致的能量跃迁。
英文摘要：
The increasing interest of nanowhiskers for technological applications has led to the observation of the zinc-blend/wurtzite polytypism. Polytypic nanowhiskers could also play, by their characteristics, an important role on the design of optical and electronic devices. In this work we propose a theoretical model to calculate the electronic properties of polytypic zinc-blend/wurtzite structure in the vicinity of the band edges. Our formulation is based on the $\vec{k} \cdot \vec{p}$ method connecting the irreducible representations in the interface of the two different crystalline phases by group theory arguments. Analyzing the composition of the states in the $Γ$ point and the overlap integrals of the envelope functions we predict energy transitions that agree with experimental photoluminescence spectra.
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