Size effects in surface-reconstructed ⟨100⟩ and ⟨110⟩ silicon nanowires
Size effects in surface-reconstructed ⟨100⟩ and ⟨110⟩ silicon nanowires
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DOI：
10.1103/physrevb.74.165324
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发表时间：
2006-07
影响因子：
3.7
通讯作者：
R. Rurali;A. Poissier;N. Lorente
中科院分区：
文献类型：
--
作者：
R. Rurali;A. Poissier;N. Lorente
利用密度泛函方法研究了硅纳米线表面钝化前后的几何结构和电子结构特性。正如我们在最近的出版物[R。Rurali和N. Lorente，Phys. Rev. Lett. {\bf 94}，026805（2005）]刻面的重构可以产生表面金属态。在这项工作中，我们分析的几何和电子结构特征的依赖关系的大小的线和生长方向上。
The geometrical and electronic structure properties of $ $ and $ $ silicon nanowires in the absence of surface passivation are studied by means of density-functional calculations. As we have shown in a recent publication [R. Rurali and N. Lorente, Phys. Rev. Lett. {\bf 94}, 026805 (2005)] the reconstruction of facets can give rise to surface metallic states. In this work, we analyze the dependence of geometric and electronic structure features on the size of the wire and on the growth direction.