硅量子点表面形状的研究

Research on Surface Shape of Silicon Quantum Qots

计算结果显示在不同曲面上进行钝化的硅量子点的结合能与电子态密度分布是不同的。例如在曲面上进行钝化的Si-O-Si桥键在带隙中产生局域态,并且曲面上进行钝化的结合能比在平面上钝化的结合能要浅,这样的现象叫做曲面效应。曲面破坏对称性结构,从而在带隙中形成局域态。表面曲率是由硅量子点的形状和硅纳米结构决定的。

the calculation results show that the bonding energy and the electronic stat-s of silicon quantum dots are diferent on various curved surface. For example, a Si-O-Si bridge bond on curved surface provides the local-ized states in band gap and its bon-ding energy is shallower than that on fact, it is curved surfaces effect. Curved surface breaks symmetrical shape of silicon quantum dots on which some bonds produce local-ized states in the band gap. Surface curvature is determined by the shape of Si QDs and silicon nanostrues, which is independent of their sizes.