• 文献标题:   Substitutional impurity in single-layer graphene: The Koster-Slater and Anderson models
  • 文献类型:   Article
  • 作  者:   DAVYDOV SY
  • 作者关键词:  
  • 出版物名称:   SEMICONDUCTORS
  • ISSN:   1063-7826 EI 1090-6479
  • 通讯作者地址:   Russian Acad Sci
  • 被引频次:   1
  • DOI:   10.1134/S106378261606004X
  • 出版年:   2016

▎ 摘  要

The Koster-Slater and Anderson models are used to consider substitutional impurities in free-standing single-layer graphene. The density of states of graphene is described using a model (the M model). For the nitrogen and boron impurities, the occupation numbers and the parameter eta which defines the fraction of delocalized electrons of the impurity are determined. In this case, experimental data are used for both determination of the model parameters and comparison with the results of theoretical estimations. The general features of the Koster-Slater and Anderson models and the differences between the two models are discussed. Specifically, it is shown that the band contributions to the occupation numbers of a nitrogen atom in both models are comparable, whereas the local contributions are substantially different: the local contributions are decisive in the Koster-Slater model and negligible in the Anderson model. The asymptotic behavior of the wave functions of a defect is considered in the Koster-Slater model, and the electron states of impurity dimers are considered in the Anderson model.