4.6 Article

Magnetic moments in the presence of topological defects in graphene

期刊

PHYSICAL REVIEW B
卷 79, 期 7, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.075413

关键词

dislocations; graphene; HF calculations; Hubbard model; magnetic moments; vacancies (crystal)

资金

  1. Spanish MECD [FIS2005-05478-C02-01]
  2. European Union [12881]

向作者/读者索取更多资源

We study the influence of pentagons and heptagons, dislocations, and other topological defects breaking the sublattice symmetry on the magnetic properties of a graphene lattice. It is known that vacancies and other defects involving uncoordinated atoms induce localized magnetic moments in the lattice. Within the Hubbard model the total spin of the nonfrustrated lattice is equal to the number of uncoordinated atoms for any value of the Coulomb repulsion U according to the Lieb theorem. With an unrestricted Hartree-Fock calculation of the Hubbard model we show that the presence of a single pentagonal ring in a large lattice is enough to alter the standard behavior and a critical value of U is needed to get the polarized ground state. Dislocations, Stone-Wales, and similar defects are also studied.

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。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据