Strain Effects on Electronic Properties of Boron Nitride Nanoribbons

Strain Effects on Electronic Properties of Boron Nitride Nanoribbons
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应变对氮化硼纳米带电子性能的影响

DOI:
10.1088/0256-307x/27/7/077101
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发表时间:
2010-07
影响因子:
3.5
通讯作者:
S. Li-Zhong
S. Li-Zhong
中科院分区:
物理与天体物理3区
文献类型:
--
作者:
Z. Jian-Xin;L. Jin;S. Li-Zhong

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采用第一性原理计算方法研究了应变对氮化硼纳米带电子性质的影响。结果表明,随着应变的增加,扶手椅型和锯齿型BNRs的能隙逐渐减小。随着应变的增加,Z-BNNRs的能隙随着宽度的增加而迅速减小,并显著减小到很小的值,这使得Z-BNNRs从宽禁带半导体转变为窄禁带半导体。
We investigate the strain effects on the electronic properties of boron nitride nanoribbons (BNNRs) by using first-principles calculations. The results show that the energy gap of BNNRs with both armchair edges (A-BNNRs) and zigzag edges (Z-BNNRs) decreases as the strain increases. As strain increases, the energy gaps of Z-BNNRs decrease rapidly as the width increases and reduce significantly to small values, which makes Z-BNNRs change from wide-gap to narrow-gap semiconductors.
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