Pristine semiconducting [110] silicon nanowires.
Pristine semiconducting [110] silicon nanowires.
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DOI：
10.1021/nl051739f
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发表时间：
2005-10
期刊：
影响因子：
10.8
通讯作者：
A. Singh;Vijay Kumar;R. Note;Y. Kawazoe
中科院分区：
文献类型：
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作者：
A. Singh;Vijay Kumar;R. Note;Y. Kawazoe
我们报告的结果从头计算的硅纳米线取向沿着[110]方向，并首次表明，这些原始的硅纳米线是间接带隙半导体。纳米线具有体硅芯，并且在横向方向上由两个（100）和两个（110）平面界定。（100）平面以类似于体Si的（100）表面的方式通过二聚化进行原子重构，但是二聚体阵列在两个（100）平面上彼此垂直。表面重构的一个有趣的结果是在较厚的纳米线的多型性的可能性。我们讨论了它对电子结构的影响。这些发现可能对硅纳米线在纳米器件中的应用具有重要意义，因为实验[110]已经发现纳米线优先在小直径范围内生长。
We report results of ab initio calculations on silicon nanowires oriented along the [110] direction and show for the first time that these pristine silicon nanowires are indirect band gap semiconductors. The nanowires have bulk Si core and are bounded by two (100) and two (110) planes in lateral directions. The (100) planes are atomically reconstructed with dimerization in a manner similar to the (100) surface of bulk Si but the dimer arrays are perpendicular to each other on the two (100) planes. An interesting consequence of surface reconstruction is the possibility of polytypism in thicker nanowires. We discuss its effects on the electronic structure. These findings could have important implications for the use of silicon nanowires in nanoscale devices as experimentally [110] nanowires have been found to grow preferentially in the small diameter range.