期刊
ACS NANO
卷 6, 期 9, 页码 7942-7947出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn3024046
关键词
graphene field-effect transistors; boron doping; mobility gap; unipolar characteristics; density functional theory; tight-binding
类别
资金
- Juan de la Cierva Program
- Spanish MICINN [FIS2008-05805]
- European Union [215752 GRAND]
- French National Research Agency (ANR) through the NANOSIM-GRAPHENE [P3N2009, ANR-09-NANO-016-01]
- Italian Ministry for the University and Research (MIUR) through the GRANFET [2008S2CLJ9]
- ICREA Funding Source: Custom
We report fully quantum simulations of realistic models of boron-doped graphene-based field-effect transistors, including atomistic details based on DFT calculations. We show that the self-consistent solution of the three-dimensional (3D) Poisson and Schrodinger equations with a representation in terms of a tight-binding Hamiltonian manages to accurately reproduce the DFT results for an isolated boron-doped graphene nanoribbon. Using a 3D Poisson/Schrodinger solver within the non-equilibrium Green's function (NEGF) formalism, self-consistent calculations of the gate-screened scattering potentials induced by the boron impurities have been performed, allowing the theoretical exploration of the tunability of transistor characteristics. The boron-doped graphene transistors are found to approach unipolar behavior as the boron concentration is increased and, by tuning the density of chemical dopants, the electron-hole transport asymmetry can be finely adjusted. Correspondingly, the onset of a mobility gap in the device is observed. Although the computed asymmetries are not sufficient to warrant proper device operation, our results represent an initial step in the direction of improved transfer characteristics and, in particular, the developed simulation strategy is a powerful new tool for modeling doped graphene nanostructures.
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