• 文献标题:   Magnetic States of the Zigzag Edge of a Graphene Nanoribbon
  • 文献类型:   Article
  • 作  者:   DAVYDOV SY
  • 作者关键词:   magnetic moment, chain model, electronic structure, density of state, occupation number
  • 出版物名称:   PHYSICS OF THE SOLID STATE
  • ISSN:   1063-7834 EI 1090-6460
  • 通讯作者地址:   Ioffe Inst
  • 被引频次:   1
  • DOI:   10.1134/S1063783420010084
  • 出版年:   2020

▎ 摘  要

Using a simple structural model and the multicenter Anderson Hamiltonian, Green's functions are obtained for the atoms of the zigzag edge of an epitaxial graphene nanoribbon. The electronic structure of the free nanoribbon is discussed in detail. Specifically, expressions for the band spectrum and density of states are found and estimates of the occupation numbers and magnetic moments are given. For a nanoribbon strongly bonded to a metal substrate, the criteria for the appearance of magnetic moments are determined. As it is shown for both free and epitaxial nanoribbons, the probability of the appearance of magnetic moments and their magnitude for zigzag edge atoms that have two nearest neighbors is higher than for atoms with three nearest neighbors.