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首页> 外文期刊>Bulletin of the American Physical Society >APS -APS March Meeting 2017 - Event - Band-gap switching and scaling of nanoperforated graphene.
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APS -APS March Meeting 2017 - Event - Band-gap switching and scaling of nanoperforated graphene.

机译：APS -APS 2017年3月会议-活动-纳米穿孔石墨烯的带隙转换和缩放。

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摘要

A framework of extbraceleft w1, w2, Rextbraceright classification for constructing the graphene nanomesh (GNM) of zigzag-edged hexagonal nanohole is systematically built. Three integer indexes w1, w2, and R indicate the distances between two neighboring sides of nanoholes in two directions and the nanohole size respectively, which leading to a straightforward gap opening criteria, i.e., wextunderscore 1$+$wextunderscore 2-R$=$3n$+$1,n$in $Z, steered via DFT band structure calculations. The guiding rule indicates that the semimetallic and semiconducting variation is consistent with a peculiar sequence “010” and “100” (“0”/“1” represent gap closure/opening) with a period of 3 for odd and even w1 respectively. The periodic nanoperforation induced gap sizes agree with a linear fitting with a smaller $surd $(Nextunderscore rem )$/$Nextunderscore tot ratio, while deviates from that when (wextunderscore 1$+$wextunderscore 2)extless R$+$1. Particularly, the extbraceleft p, 1, pextbraceright and extbraceleft 1, q, qextbraceright structures demonstrate each unique scaling rule pertaining to the nanohole size only when n is set to zero. Furthermore, the coexistence of Dirac and flat bands is observed for extbraceleft 1, q, qextbraceright and extbraceleft 1, 1, mextbraceright structures, which is sensitive to the atomic patters.
机译：系统地构建了构造左曲形六角形纳米孔的石墨烯纳米网（GNM）的extbraceleft w1，w2和Rextbraceright分类框架。三个整数索引w1，w2和R分别指示纳米孔在两个方向上的两个相邻边之间的距离和纳米孔的大小，这导致了直接的缺口开放标准，即wextunderscore 1 $ + $ wextunderscore 2-R $ = $ 3通过DFT频带结构计算来控制n $ + $ 1，n $ in $ Z。指导原则表明，半金属和半导体的变化与奇数序列“ 010”和“ 100”（“ 0” /“ 1”代表间隙闭合/打开）一致，奇数和偶数w1的周期为3。周期性的纳米穿孔引起的间隙尺寸与较小的$ surd $（Nextunderscore rem）$ / $ Nextunderscore的托比的线性拟合相符，而与（wextunderscore 1 $ + $ wextunderscore 2）超出R $ + $ 1时的线性拟合不同。特别地，仅当将n设置为零时，左上角p，1，右上角肋和左上角1，q，q右上角结构显示出与纳米孔尺寸有关的每个唯一的缩放规则。此外，观察到狄拉克和平坦带共存于对原子模式敏感的极左1，q，q右，右极和右1、1，mextbraceright结构。

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