Modeling electronic structure and transport properties of graphene with resonant scattering centers
arXiv:1007.3930 · doi:10.1103/PhysRevB.82.115448
Abstract
We present a detailed numerical study of the electronic properties of single-layer graphene with resonant ("hydrogen") impurities and vacancies within a framework of noninteracting tight-binding model on a honeycomb lattice. The algorithms are based on the numerical solution of the time-dependent Schrödinger equation and applied to calculate the density of states, \textit{quasieigenstates}, AC and DC conductivities of large samples containing millions of atoms. Our results give a consistent picture of evolution of electronic structure and transport properties of functionalized graphene in a broad range of concentration of impurities (from graphene to graphane), and show that the formation of impurity band is the main factor determining electrical and optical properties at intermediate impurity concentrations, together with a gap opening when approaching the graphane limit.
17 pages, 17 figures, expanded version to appear in PRB
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Cited by in corpus (13)
- Two-dimensional Mott-Hubbard electrons in an artificial honeycomb lattice
- Unified description of the dc conductivity of monolayer and bilayer graphene at finite densities based on resonant scatterers
- Excitation spectrum and high energy plasmons in single- and multi-layer graphene
- Diffusion and criticality in undoped graphene with resonant scatterers
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