Substitutional impurity in single-layer graphene: The Koster–Slater and Anderson models
- 作者: Davydov S.1
-
隶属关系:
- Ioffe Physical–Technical Institute
- 期: 卷 50, 编号 6 (2016)
- 页面: 801-809
- 栏目: Carbon Systems
- URL: https://journals.rcsi.science/1063-7826/article/view/197273
- DOI: https://doi.org/10.1134/S106378261606004X
- ID: 197273
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详细
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 η 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.
作者简介
S. Davydov
Ioffe Physical–Technical Institute
编辑信件的主要联系方式.
Email: sergei_davydov@mail.ru
俄罗斯联邦, St Petersburg, 194021