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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
A new calculation method was developed under tight bond approximation. The electronic structure of the CdS quantum dots in the sphalerite structure was calculated and compared with the effective mass approximation. The calculation method is relatively simple and calculated in K space. The result But it is consistent with the results of complex calculations in real space.The theoretical results of tight binding approximation agree well with the experimental results.The results show that the calculation method of k-space with tight binding approximation is a simple and effective way to extend To other materials and structures