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五重-六重石墨烯纳米带:本征磁性和边缘效应诱导无自旋能隙半导体和半金属特性

Penta-Hexa-Graphene Nanoribbons: Intrinsic Magnetism and Edge Effect Induce Spin-Gapless Semiconducting and Half-Metallic Properties.

作者信息

Deng Yuan-Xiang, Chen Shi-Zhang, Zhang Yong, Yu Xia, Xie Zhong-Xiang, Tang Li-Ming, Chen Ke-Qiu

机构信息

School of Electrical Information Engineering, Hunan Institute of Technology, Hengyang 421002, China.

Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, China.

出版信息

ACS Appl Mater Interfaces. 2020 Nov 25;12(47):53088-53095. doi: 10.1021/acsami.0c14768. Epub 2020 Nov 16.

DOI:10.1021/acsami.0c14768
PMID:33197167
Abstract

Two-dimensional materials with intrinsic long-range ordered magnetic moments have drawn a lot of attention. However, for practical applications, whether or not the magnetism is stable in their nanostructures has not been revealed. Here, based on the recently proposed magnetic penta-hexa-graphene, we study the electronic and magnetic properties of its nanoribbons (named PHGNRs). The results show that the PHGNRs have intrinsic robust magnetic moments that are different from zigzag graphene nanoribbons, where the magnetic moments caused by the edge effect are vulnerable. Moreover, the magnetic ground states, namely, ferromagnetic (FM) or antiferromagnetic (AFM), can be transformed by changing the width of PHGNRs. Most interestingly, under the FM ground state, the spin-polarized electronic properties reveal that the zigzag PHGNRs transform from spin-gapless semiconductors (SGSs) to half-metals, as the width of nanoribbons increases, while all the armchair PHGNRs are magnetic semiconductors. Furthermore, by considering different edge effects caused by the residual carbon atoms on the edges, the PHGNRs can further derive different types of SGSs, as well as half-metals. Our work suggests that the PHGNRs possessing intrinsic robust magnetic moments have potential applications in the field of spintronic devices.

摘要

具有本征长程有序磁矩的二维材料引起了广泛关注。然而,对于实际应用而言,其纳米结构中的磁性是否稳定尚未明确。在此,基于最近提出的磁性五重六重石墨烯,我们研究了其纳米带(命名为PHGNRs)的电子和磁性特性。结果表明,PHGNRs具有本征的稳健磁矩,这与锯齿形石墨烯纳米带不同,后者由边缘效应引起的磁矩很脆弱。此外,通过改变PHGNRs的宽度,可以改变磁性基态,即铁磁(FM)或反铁磁(AFM)。最有趣的是,在FM基态下,自旋极化电子特性表明,随着纳米带宽度的增加,锯齿形PHGNRs从自旋无隙半导体(SGSs)转变为半金属,而所有扶手椅形PHGNRs都是磁性半导体。此外,考虑到边缘上残留碳原子引起的不同边缘效应,PHGNRs可以进一步衍生出不同类型的SGSs以及半金属。我们的工作表明,具有本征稳健磁矩的PHGNRs在自旋电子器件领域具有潜在应用。

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