Magnetic and electronic properties of zigzag BN nanoribbons with nonmetallic atom terminations: A first-principles study

被引：4
|
作者：
Li, Xiong [1 ]
Huang, Can [2 ]
Zhu, Yan [2 ]
Ma, Chunlan [3 ]
机构：
[1] Nanjing Univ Chinese Med, Sch Artificial Intelligence & Informat Technol, Nanjing 210023, Peoples R China
[2] Nanjing Univ Aeronaut & Astronaut, Coll Sci, Nanjing 210016, Peoples R China
[3] Suzhou Univ Sci & Technol, Sch Math & Phys, Jiangsu Key Lab Micro & Nano Heat Fluid Flow Tech, Suzhou 215009, Peoples R China
来源：
PHYSICS LETTERS A | 2020年 / 384卷 / 25期
基金：
中国国家自然科学基金;
关键词：
Boron nitride nanoribbon; Edge state; Density-functional theory; Magnetic property; Electronic structure; BORON-NITRIDE NANORIBBONS;
D O I：
10.1016/j.physleta.2020.126483
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The boron nitride (BN) nanosheet is an isostructural analog of graphene and can be viewed as the structure that C atoms in graphene are replaced with alternating B and N. The easily modulated band-gap of BN nanosheet by simply passivating its edge(s) makes it is promising for many potential applications in nanodevices and nanoelectronics. We further systematically theoretically study the magnetic and electronic properties of passivated-ZBNNR by nonmetallic atom(s), here. According to our calculations, all considered structures show magnetic feature, and the ZBNNRs can be metal or half-metal or semiconductor depending on the termination details. The great application-potential of the passivated-ZBNNRs is further confirmed based on our results. (C) 2020 Elsevier B.V. All rights reserved.
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页数：8
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