Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

doi:10.1088/1674-1056/26/3/036803

中国物理B ›› 2017, Vol. 26 ›› Issue (3): 36803-036803.doi: 10.1088/1674-1056/26/3/036803

所属专题： TOPICAL REVIEW — 2D materials: physics and device applications

• SPECIAL TOPIC • 上一篇下一篇

Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

Jingsi Qiao(乔婧思), Linwei Zhou(周霖蔚), Wei Ji(季威)

Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China

收稿日期:2016-12-26 修回日期:2017-02-03 出版日期:2017-03-05 发布日期:2017-03-05
通讯作者: Wei Ji E-mail:wji@ruc.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Gant Nos. 11274380, 91433103, 11622437, and 61674171), the Fundamental Research Funds for the Central Universities, China, and the Research Funds of Renmin University of China (Grant No. 16XNLQ01). Qiao was supported by the Outstanding Innovative Talents Cultivation Funded Programs 2016 of Renmin University of China.

Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

Jingsi Qiao(乔婧思), Linwei Zhou(周霖蔚), Wei Ji(季威)

Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China

Received:2016-12-26 Revised:2017-02-03 Online:2017-03-05 Published:2017-03-05
Contact: Wei Ji E-mail:wji@ruc.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Gant Nos. 11274380, 91433103, 11622437, and 61674171), the Fundamental Research Funds for the Central Universities, China, and the Research Funds of Renmin University of China (Grant No. 16XNLQ01). Qiao was supported by the Outstanding Innovative Talents Cultivation Funded Programs 2016 of Renmin University of China.

摘要/Abstract

摘要：

One-dimensional mono- or few-atomic chains were successfully fabricated in a variety of two-dimensional materials, like graphene, BN, and transition metal dichalcogenides, which exhibit striking transport and mechanical properties. However, atomic chains of black phosphorus (BP), an emerging electronic and optoelectronic material, is yet to be investigated. Here, we comprehensively considered the geometry stability of six categories of infinite BP atomic chains, transitions among them, and their electronic structures. These categories include mono- and dual-atomic linear, armchair, and zigzag chains. Each zigzag chain was found to be the most stable in each category with the same chain width. The mono-atomic zigzag chain was predicted as a Dirac semi-metal. In addition, we proposed prototype structures of suspended and supported finite atomic chains. It was found that the zigzag chain is, again, the most stable form and could be transferred from mono-atomic armchair chains. An orientation dependence was revealed for supported armchair chains that they prefer an angle of roughly 35°-37° perpendicular to the BP edge, corresponding to the [110] direction of the substrate BP sheet. These results may promote successive research on mono- or few-atomic chains of BP and other two-dimensional materials for unveiling their unexplored physical properties.

关键词: black phosphorus, atomic chain, Dirac semi-metal, one-dimension material

Abstract:

Key words: black phosphorus, atomic chain, Dirac semi-metal, one-dimension material

中图分类号: (Low-dimensional, mesoscopic, nanoscale and other related systems: structure and nonelectronic properties)

68.65.-k

81.07.Vb (Quantum wires) 81.30.Dz (Phase diagrams of other materials)

乔婧思, 周霖蔚, 季威. Geometric stability and electronic structure of infinite and finite phosphorus atomic chains[J]. 中国物理B, 2017, 26(3): 36803-036803.

Jingsi Qiao(乔婧思), Linwei Zhou(周霖蔚), Wei Ji(季威). Geometric stability and electronic structure of infinite and finite phosphorus atomic chains[J]. Chin. Phys. B, 2017, 26(3): 36803-036803.

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Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

Geometric stability and electronic structure of infinite and finite phosphorus atomic chains

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