闪锌矿结构CdS量子点的电子结构:紧束缚近似下一种新的计算方法

在紧束缚近似下发展了一种新的计算方法，计算了闪锌矿结构CdS量子点的电子结构，并与有效质量近似作了比较。这种计算方法比较简洁，在K－空间进行计算，结果却与实空间复杂计算的结果一致。紧束缚近似的理论结果在很大范围内可与实验结果相符合。结果表明，紧束缚近似下K空间的计算方法是一种简单有效的方式，可以扩展到其它材料和结构。

Electronic Structure of Zinc-Blende CdS Quantum Dots:A New Approach Under Tight-Binding Approximation*

We have developed a new approach to calculate the electronic structure of zinc-blend CdS quantum dots under the frame of tight-binding approximation (TBA), which is compared with the effective mass approximation (EMA). This approach is rather concise because the calculation is performed in K-space instead of in real space, but the results are justified by the results calculated in real space. The TBA theoretical results could give good explanation of the experimental data over a large range. Our results demonstrate that the method of calculation in K-space is simple and effective, which can be extended to other materials with different structures.