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Simulation of hydrogenated graphene Field-Effect Transistors through a multiscale approach

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 Added by Gianluca Fiori
 Publication date 2010
  fields Physics
and research's language is English




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In this work, we present a performance analysis of Field Effect Transistors based on recently fabricated 100% hydrogenated graphene (the so-called graphane) and theoretically predicted semi-hydrogenated graphene (i.e. graphone). The approach is based on accurate calculations of the energy bands by means of GW approximation, subsequently fitted with a three-nearest neighbor (3NN) sp3 tight-binding Hamiltonian, and finally used to compute ballistic transport in transistors based on functionalized graphene. Due to the large energy gap, the proposed devices have many of the advantages provided by one-dimensional graphene nanoribbon FETs, such as large Ion and Ion/Ioff ratios, reduced band-to-band tunneling, without the corresponding disadvantages in terms of prohibitive lithography and patterning requirements for circuit integration.



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128 - G. Fiori , G. Iannaccone 2008
We present an atomistic three-dimensional simulation of graphene nanoribbon field effect transistors (GNR-FETs), based on the self-consistent solution of the 3D Poisson and Schroedinger equation with open boundary conditions within the non-equilibrium Greens Function formalism and a tight-binding hamiltonian. With respect to carbon nanotube FETs, GNR-FETs exhibit comparable performance, reduced sensitivity on the variability of channel chirality, and similar leakage problems due to band-to-band tunneling. Acceptable transistor performance requires effective nanoribbon width of 1-2 nm, that could be obtained with periodic etching patterns or stress patterns.
The performance of field effect transistors based on an single graphene ribbon with a constriction and a single back gate are studied with the help of atomistic models. It is shown how this scheme, unlike that of traditional carbon-nanotube-based transistors, reduces the importance of the specifics of the chemical bonding to the metallic electrodes in favor of the carbon-based part of device. The ultimate performance limits are here studied for various constriction and metal-ribbon contact models. In particular we show that, even for poorly contacting metals, properly taylored constrictions can give promising values for both the on-conductance and the subthreshold swing.
The unique optoelectronic properties of graphene [1] make it an ideal platform for a variety of photonic applications [2], including fast photodetectors [3], transparent electrodes [4], optical modulators [5], and ultra-fast lasers [6]. Owing to its high carrier mobility, gapless spectrum, and frequency-independent absorption coefficient, it has been recognized as a very promising element for the development of detectors and modulators operating in the Terahertz (THz) region of the electromagnetic spectrum (wavelengths in the hundreds of micrometers range), which is still severely lacking in terms of solid-state devices. Here we demonstrate efficient THz detectors based on antenna-coupled graphene field-effect transistors (FETs). These exploit the non-linear FET response to the oscillating radiation field at the gate electrode, with contributions of thermoelectric and photoconductive origin. We demonstrate room temperature (RT) operation at 0.3 THz, with noise equivalent power (NEP) levels < 30 nW/Hz^(1/2), showing that our devices are well beyond a proof-of-concept phase and can already be used in a realistic setting, enabling large area, fast imaging of macroscopic samples.
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 Greens Functions (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.
The weak spin-orbit interaction in graphene was predicted to be increased, e.g., by hydrogenation. This should result in a sizable spin Hall effect (SHE). We employ two different methods to examine the spin Hall effect in weakly hydrogenated graphene. For hydrogenation we expose graphene to a hydrogen plasma and use Raman spectroscopy to characterize this method. We then investigate the SHE of hydrogenated graphene in the H-bar method and by direct measurements of the inverse SHE. Although a large nonlocal resistance can be observed in the H-bar structure, comparison with the results of the other method indicate that this nonlocal resistance is caused by a non-spin-related origin.
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