Influence of edge passivation on the transport properties of the zigzag phosphorene nanoribbons

doi:10.1016/j.physleta.2020.126486

	Influence of edge passivation on the transport properties of the zigzag phosphorene nanoribbons
	Shi, H. L.1; Song, M. R.1; Jiang, Z. T.1; Ren, Y. H.1; Han, Q. Z.2
刊名	PHYSICS LETTERS A
	2020-09-07
卷号	384 期号:25 页码:5
关键词	Phosphorene Current-voltage characteristics Edge passivation
ISSN号	0375-9601
DOI	10.1016/j.physleta.2020.126486
英文摘要	By using first-principles calculation based on density functional theory and non-equilibrium Green's function method, we investigate the transport properties of zigzag phosphorene nanoribbons (ZPNRs). The edges of the ZPNRs can be passivated in three ways named W1, W2, W3. These calculated results show that the electronic transport properties of the ZPNRs can be seriously influenced by the edge passivation ways, and the transport is determined by both the two edges and the interaction between them. Moreover, we find the width of the ZPNR can switch on or switch off the transport channel of the W3-type ZPNR. Furthermore, we present the transmission spectra, the band structures of both left and right electrodes, the molecular energy levels, and transmission eigenstates of the H-S-passivated W3-type ZPNRs to uncover the transport mechanism. This study provides a theoretical support for designing the related nanodevices by changing the passivation ways, which is an effective route for tuning the electronic structures and the transport properties of the phosphorene nanoribbons. (C) 2020 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Fundation of China[11774029] ; National Natural Science Fundation of China[11504374] ; National Key Research and Development Program of China[2017YFC0210304]
WOS关键词	ELECTRONIC-PROPERTIES ; INN MONOLAYER ; CONDUCTANCE ; DEVICE ; STRAIN
WOS研究方向	Physics
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000551342500015
资助机构	National Natural Science Fundation of China ; National Key Research and Development Program of China
内容类型	期刊论文
源URL	[http://ir.ipe.ac.cn/handle/122111/41536]
专题	中国科学院过程工程研究所
通讯作者	Jiang, Z. T.; Han, Q. Z.
作者单位	1.Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, Res Dept Environm Technol & Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Shi, H. L.,Song, M. R.,Jiang, Z. T.,et al. Influence of edge passivation on the transport properties of the zigzag phosphorene nanoribbons[J]. PHYSICS LETTERS A,2020,384(25):5.
APA	Shi, H. L.,Song, M. R.,Jiang, Z. T.,Ren, Y. H.,&Han, Q. Z..(2020).Influence of edge passivation on the transport properties of the zigzag phosphorene nanoribbons.PHYSICS LETTERS A,384(25),5.
MLA	Shi, H. L.,et al."Influence of edge passivation on the transport properties of the zigzag phosphorene nanoribbons".PHYSICS LETTERS A 384.25(2020):5.