Edge modulation of electronics and transport properties of cliff-edge phosphorene nanoribbons

被引：6
|
作者：
Guo, Caixia [1 ,2 ]
Wang, Tianxing [1 ]
Xia, Congxin [1 ]
Liu, Yufang [1 ]
机构：
[1] Henan Normal Univ, Coll Phys & Mat Sci, Xinxiang 453007, Peoples R China
[2] Henan Normal Univ, Coll Elect & Elect Engn, Xinxiang 453007, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2017年 / 426卷
基金：
中国国家自然科学基金;
关键词：
Cliff-edge phosphorene nanoribbons; Edge passivation; Electronic structures; Transport properties; BLACK PHOSPHORUS; GRAPHENE TRANSISTORS; LAYER; GAP;
D O I：
10.1016/j.apsusc.2017.08.197
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Based on the first-principles calculations, we study the electronic structures and transport properties of cliff-like edge phosphorene nanoribbons (CPNRs), considering different types of edge passivation. The band structures of bare CPNRs possess the metallic features; while hydrogen (H), fluorine (F), chlorine (Cl) and oxygen (O) atoms-passivated CPNRs are semiconductor materials, and the band gap values mono-tonically decrease when the ribbon width increases. Moreover, the H and F-passivated CPNRs exhibit the direct band gap characteristics, while the Cl and O-passivated cases show the features of indirect band gap. In addition, the edge passivated CPNRs are more energetically stable than bare edge case. Mean while, our results also show that the transport properties of the CPNRs can be obviously influenced by the different edge passivation. (C) 2017 Published by Elsevier B.V
引用
收藏
页码：1256 / 1262
页数：7
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