扶手椅型锗纳米带边缘钝化带隙工程第一性原理研究

A. Abootorabian, A. Y. Goharrizi
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引用次数: 0

摘要

锗烯是一种类似石墨烯的二维材料,具有蜂窝结构,其中碳原子被锗原子取代,不同之处在于原子之间的距离(与板垂直方向)更大,并且它们具有弯曲结构。本文通过改变锗纳米带边缘原子的钝化程度,实现了扶手椅锗纳米带的带隙工程。通过增加带的宽度,带隙尺寸根据三种不同的趋势减小。此外,在任何给定宽度处改变边缘钝化原子会导致带隙大小的各种变化。
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Bandgap Engineering of Armchair Germanene Nanoribbons by Edge Passivation: A First Principles Study
Germanene is a two-dimensional material similar to graphene with a honeycomb structure in which carbon atoms are replaced by germanium atoms, the difference is that the distances between the atoms (in a perpendicular direction to the plate) are larger and they have a buckled structure. In this paper, the band-gap engineering of armchair germanene nanoribbons is performed by changing the passivation of the edge atoms. By increasing the width of the ribbons, the band-gap size is decreased according to three different trends. Also, changing the edge passivating atoms at any given width causes various changes in the band-gap size.
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