Electronic structures of boron nanoribbons
Electronic structures of boron nanoribbons
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DOI：
10.1063/1.2965803
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发表时间：
2008-07-28
影响因子：
4
通讯作者：
Ni, Jun
中科院分区：
文献类型：
--
作者：
Ding, Yi;Yang, Xiaobao;Ni, Jun
利用第一性原理计算，我们研究了硼纳米带的电子性质。硼纳米带由稳定的硼片构成。具有不同边缘的裸露的硼纳米带是金属。锯齿形边缘双氢钝化的硼纳米带成为半导体，并且比单氢钝化的硼纳米带更稳定。带隙在0.5 eV的范围内，并且由于纳米晶宽度的奇偶数，带隙随着宽度的变化而振荡变化。(C)2008年美国物理学会。
Using first principles calculations, we investigate the electronic properties of boron nanoribbons. The boron nanoribbons are constructed from the stable boron sheet. The bare boron nanoribbons with different edges are metals. The boron nanoribbons with two-hydrogen passivated on the zigzag edges become semiconductors and are more stable than the one-hydrogen passivated ones. The band gaps are within the range of 0.5 eV and there is an oscillatory variation in the band gaps with the change of widths due to the even-odd number of nanoribbon widths. (C) 2008 American Institute of Physics.