期刊
APPLIED SURFACE SCIENCE
卷 481, 期 -, 页码 1549-1553出版社
ELSEVIER
DOI: 10.1016/j.apsusc.2019.02.015
关键词
Two-dimensional aluminium nitride; Hydrogenation; Fluorination; Janus functionalization; Direct-bandgap semiconductor; Density functional theory
类别
资金
- National Science Foundation for Young Scientists of China [11704165]
- National Natural Science Foundation of China [11864047]
- China Scholarship Council [201908320001]
- Science Foundation of Guizhou Science and Technology Department [QKHJZ [2015] 2150]
- Science Foundation of Guizhou Provincial Department of Education [QJHKYZ[2016] 092]
- Science Foundation of Jinling Institute of Technology [40620064]
Using density functional theory computations, the structures and electronic properties of hydrogenated and fluorinated aluminium nitride (AlN) were systematically investigated. We found that fully hydrogenated AlN (H-AlN-H) is an indirect-bandgap semiconductor which is similar to an AlN monolayer. Interestingly, Janus functionalized AlN (F-AlN-H) is a direct-bandgap semiconductor with a bandgap of 3.076 eV. F-AlN-H bilayer is also a direct-bandgap semiconductor, but its bandgap (only 0.187 eV) is much smaller than that of F-AlN-H monolayer. In addition, the gap values of both the F-AlN-H monolayer and the F-AlN-H bilayer can be continuously modulated by a perpendicular electric field; semiconductor-metal transition can even be obtained by applying a small electric field in the F-AlN-H bilayer. Our results are expected to shed light on the fabrication of electronic and optoelectronic devices based on AlN monolayer.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据