用紧结合法研究应变条件下二硫化钼纳米带的电子特性

Shuoyuan Chen, Yuh‐Renn Wu
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引用次数: 9

摘要

采用紧密结合法计算了单层二硫化钼及其纳米带结构的能带图。研究了量子约束效应和应变效应。我们在纳米带的约束方向和输运方向分别施加拉伸应变,研究了拉伸应变对带隙和有效质量的影响。随着应变的增大,带隙和有效质量减小。此外,沿输运方向的拉伸应变对降低价带有效质量有较好的效果。虽然价带边从K谷向更重的Γ谷变化,但施加适当的应变仍然可以改善输运性质。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Electronic properties of MoS2 nanoribbon with strain using tight binding method
The tight binding method was used to calculated the band diagrams of monolayer MoS2 and its nanoribbon structures. Both the quantum confinement effect and the strain effect have been studied. We applied tensile strains on both confined and transport directions of the nanoribbon and investigated the impacts on the band gap and the effective mass. We found that the band gap and the effective mass decrease with an increasing strain. In addition, the tensile strain along the transport direction has better effect on reducing the valence band effective mass. Although the valence band edge changes from K valley to the heavier Γ valley, applying a proper strain can still improve the transport properties.
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