The Effects of Dangling Bonds on AlN Nanoribbons: A First-Principles Study

被引：1
作者：
Sun, Ting-ting [1 ]
Wang, Yong-xin [1 ]
Chen, Zheng [1 ]
Du, Xiu-juan [1 ]
机构：
[1] Northwestern Polytech Univ, State Key Lab Solidificat Proc, Sch Mat Sci & Engn, Xian 710072, Shaanxi, Peoples R China
来源：
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2015年 / 28卷 / 01期
基金：
中国国家自然科学基金;
关键词：
AlN nanoribbons; First principles; Electronic; Magnetic; INITIO MOLECULAR-DYNAMICS; GRAPHENE; AIN;
D O I：
10.1007/s10948-014-2858-8
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The effects of dangling bonds on electronic and magnetic properties for both zigzag AlN nanoribbons (ZAlNNRs) and armchair AlN nanoribbons (AAlNNRs) are studied by using first-principles calculations. Though ZAlNNRs or AAlNNRs terminated with H at both edges are nonmagnetic semiconductors, the results show that no H at the left side and no H at both edges cause magnetic metal for ZAlNNRs, but magnetic semimetal for ZAlNNRs with no H terminated at the right side, which open a way to design magnetic nanodevices based on AlNNRs. The AAlNNRs with unilateral hydrogen passivation or no H at both edges are still nonmagnetic semiconductors. ZAlNNRs with no H at the right side have a spin polarization value of 100 %, indicating these systems can be used to construct efficient spin-polarized transport devices.
引用
收藏
页码：271 / 275
页数：5
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