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Vacancy-induced magnetism in graphene and graphene ribbons

机译:石墨烯和石墨烯带中的空位感应磁性

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摘要

We address the electronic structure and magnetic properties of vacancies and voids both in graphene and graphene ribbons. By using a mean-field Hubbard model, we study the appearance of magnetic textures associated with removing a single atom (vacancy) and multiple adjacent atoms (voids) as well as the magnetic interactions between them. A simple set of rules, based on the Lieb theorem, link the atomic structure and the spatial arrangement of the defects to the emerging magnetic order. The total spin S of a given defect depends on its sublattice imbalance, but some defects with S=0 can still have local magnetic moments. The sublattice imbalance also determines whether the defects interact ferromagnetically or antiferromagnetically with one another and the range of these magnetic interactions is studied in some simple cases. We find that in semiconducting armchair ribbons and two-dimensional graphene without global sublattice imbalance, there is a maximum defect density above which local magnetization disappears. Interestingly, the electronic properties of semiconducting graphene ribbons with uncoupled local moments are very similar to those of diluted magnetic semiconductors, presenting giant Zeeman splitting.
机译:我们研究石墨烯和石墨烯带中的空位和空隙的电子结构和磁性。通过使用均场Hubbard模型,我们研究了与去除单个原子(空位)和多个相邻原子(空位)相关的磁织构的外观以及它们之间的磁相互作用。基于李布定理的一组简单规则将原子结构和缺陷的空间排列与新兴的磁阶联系起来。给定缺陷的总自旋S取决于其子晶格失衡,但是某些S = 0的缺陷仍然可以具有局部磁矩。亚晶格失衡还决定了缺陷是铁磁相互作用还是反铁磁相互作用,并且在一些简单情况下研究了这些磁相互作用的范围。我们发现,在没有整体亚晶格不平衡的半导体扶手椅状带和二维石墨烯中,存在最大缺陷密度,在该缺陷密度以上,局部磁化强度消失。有趣的是,具有不耦合局部力矩的半导体石墨烯带的电子性质与稀磁半导体的电子性质非常相似,呈现出巨大的塞曼分裂。

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