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Stability and electronic structure of two-dimensional arsenic phosphide monolayer

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成果类型:
期刊论文
作者:
Tang, Jian-Ping;Xiao, Wen-Zhi*;Wang, Ling-Ling
通讯作者:
Xiao, Wen-Zhi
作者机构:
[Tang, Jian-Ping] Hengyang Normal Univ, Dept Phys & Elect, Hengyang 422008, Peoples R China.
[Xiao, Wen-Zhi] Hunan Inst Engn, Sch Sci, Xiangtan 411104, Peoples R China.
[Wang, Ling-Ling] Hunan Univ, Sch Phys & Elect, Changsha 410082, Hunan, Peoples R China.
通讯机构:
[Xiao, Wen-Zhi] H
Hunan Inst Engn, Sch Sci, Xiangtan 411104, Peoples R China.
语种:
英文
关键词:
Arsenic phosphide;Monolayer;Stability;Electronic structure;Photocatalysis
期刊:
Materials Science and Engineering B-Advanced Functional Solid-State Materials
ISSN:
0921-5107
年:
2018
卷:
228
页码:
206-212
基金类别:
Hunan Provincial Natural Science FoundationNatural Science Foundation of Hunan Province [2016JJ6028]; Scientific Research Fund of Hunan Provincial Education DepartmentHunan Provincial Education Department [16A046]; Science Foundation for Initial Doctor of Hengyang Normal University [14B39]
机构署名:
本校为第一机构
院系归属:
物理与电子工程学院
摘要:
Using first-principles calculations, we investigate the geometric structures, stabilities, electronic structures, and magnetic properties of three kinds of AsP monolayers: blue-phosphorene-like AsP (blue AsP), black-phosphorene-like AsP (black AsP) and puckered AsP. Stability analysis implies a high possibility of fabricating AsP monolayers in experiments. The blue AsP monolayer possesses the most stable structure with an indirect band-gap of 2.52 eV. The blue AsP system is also a good candidate for visible light photocatalytic decomposition of water. The black one is a semiconductor with a di...

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