Phosphorene nanoribbons

被引：150

作者：

Carvalho, A. ^{[1
,2
]}

Rodin, A. S. ^{[1
,2
]}

Neto, A. H. Castro ^{[1
,2
,3
]}

机构：

[1] Natl Univ Singapore, Graphene Res Ctr, Singapore 117542, Singapore

[2] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore

[3] Boston Univ, Boston, MA 02215 USA

来源：

EPL | 2014年 / 108卷 / 04期

关键词：

BLACK PHOSPHORUS; SYSTEMS; PSEUDOPOTENTIALS; MODEL;

D O I：

10.1209/0295-5075/108/47005

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Edge-induced gap states in finite phosphorene layers are examined using analytical models and density functional theory. The nature of such gap states depends on the direction of the cut. Armchair nanoribbons are insulating, whereas nanoribbons cut in the perpendicular direction (with zigzag and cliff-type edges) are metallic, unless they undergo a reconstruction or distortion with cell doubling, which opens a gap. All stable nanoribbons with unsaturated edges have gap states that can be removed by hydrogen passivation. Armchair nanoribbon edge states decay exponentially with the distance to the edge and can be described by a nearly free electron model. This is used to prove the existence of the gap states in the limit of a semi-infinite plane. Copyright (C) EPLA, 2014

引用

页数：6

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