Coupled Mode Space Approach for the Simulation of Realistic Carbon Nanotube Field-Effect Transistors

A coupled mode space approach within the nonequilibrium Green's function formalism is presented, which allows performing simulations of realistic carbon nanotube field-effect transistors (CNT-FETs) with no spatial symmetry. Computing time is significantly reduced with respect to the real space approach, since only few modes are needed in order to obtain accurate results. The advantage of the method increases with increasing nanotube diameter, and is a factor of 20 in computing time for a (25,0) nanotube. As a consequence, computationally demanding simulations like those required by a statistical investigation, or by a device performance study based on the exploration of the design space, become more affordable. As a further test of the method, we have applied the coupled mode space approach to double-gate CNT-FETs devices and devices with discrete distribution of doping atoms. In the latter case, nonballistic transport due to elastic scattering with ionized impurities in doped source and drain extensions occurs. We show that even in the case of very rough potential, the coupled mode space approach is accurate with very few modes, enabling atomistic simulations of statistical properties with reduced computational resources.     

Energy conversion efficiency in nanotube optoelectronics

We present theoretical performance estimates for nanotube optoelectronic devices under bias. Current-voltage characteristics of illuminated nanotube p-n junctions are calculated using a self-consistent nonequilibrium Green's function approach. Energy conversion rates reaching tens of percent are predicted for incident photon energies near the band gap energy. In addition, the energy conversion rate increases as the diameter of the nanotube is reduced, even though the quantum efficiency shows little dependence on nanotube radius. These results indicate that the quantum efficiency is not a limiting factor for use of nanotubes in optoelectronics.     

Numerically Efficient Modeling of CNT Transistors With Ballistic and Nonballistic Effects for Circuit Simulation

This paper presents an efficient carbon nanotube (CNT) transistor modeling technique that is based on cubic spline approximation of the nonequilibrium mobile charge density. The approximation facilitates the solution of the self-consistent voltage equation in a CNT so that calculation of the CNT drain–source current is accelerated by at least two orders of magnitude. A salient feature of the proposed technique is its ability to incorporate both ballistic and nonballistic transport effects without a significant computational cost. The proposed models have been extensively validated against reported CNT ballistic and nonballistic transport theories and experimental results.      

Properties of short channel ballistic carbon nanotube transistors with ohmic contacts

We present self-consistent, non-equilibrium Green's function calculations of the characteristics of short channel carbon nanotube transistors, focusing on the regime of ballistic transport with ohmic contacts. We first establish that the band line-up at the contacts is renormalized by charge transfer, leading to Schottky contacts for small diameter nanotubes and ohmic contacts for large diameter nanotubes, in agreement with recent experiments. For short channel ohmic contact devices, source-drain tunnelling and drain-induced barrier lowering significantly impact the current-voltage characteristics. Furthermore, the ON state conductance shows a temperature dependence, even in the absence of phonon scattering or Schottky barriers. This last result also agrees with recently reported experimental measurements.     

Photocurrent imaging of p-n junctions in ambipolar carbon nanotube transistors

We use scanning photocurrent microscopy (SPCM) to investigate the properties of internal p-n junctions in ambipolar carbon nanotube (CNT) transistors. Our SPCM images show strong signals near metal contacts whose polarity and positions change depending on the gate bias. SPCM images analyzed in conjunction with the overall conductance also indicate the existence and gate-dependent evolution of internal p-n junctions near contacts in the n-type operation regime. To determine the p-n junction position and the depletion width with a nanometer scale resolution, a Gaussian fit was used. We also measure the electric potential profile of partially suspended CNT devices at different gate biases, which shows that induced local fields can be imaged using the SPCM technique. Our experiment clearly demonstrates that SPCM is a valuable tool for imaging and optimizing electrical and optoelectronic properties of CNT based devices.     

Theoretical and experimental studies of Schottky diodes that use aligned arrays of single-walled carbon nanotubes

We present theoretical and experimental studies of Schottky diodes that use aligned arrays of single-walled carbon nanotubes. A simple physical model, taking into account the basic physics of current rectification, can adequately describe the single-tube and array devices. We show that for as-grown array diodes, the rectification ratio, defined by the maximum-to-minimum-current-ratio, is low due to the presence of metallic-single-walled nanotube (SWNT) shunts. These tubes can be eliminated in a single voltage sweep resulting in a high rectification array device. Further analysis also shows that the channel resistance, and not the intrinsic nanotube diode properties, limits the rectification in devices with channel length up to 10 μm.     

Ballistic quantum transport in nanoscale Schottky-barrier tunnel transistors

The device characteristics of the nanoscale Schottky-barrier tunnel transistor (SBTT) are investigated by solving the self-consistent two-dimensional Poisson-Schrodinger equations and treating the ballistic transport with the nonequilibrium Green's function formalism. A main focus lies in the assessment of the device performance of the SBTT as the channel length is gradually reduced down to a few nanometers. Due to the assumed ballistic transport, the device characteristics are almost the same if the channel length is greater than about 20 nm, but the device performance starts to degrade below L=20 nm. By examining the device performance in terms of the voltage gain, transfer characteristics, and the threshold voltage behavior, we suggest that the channel length of the SBTT can be reduced to approximately 10 nm. Discussions on how scattering affects the simulation results and how to control on- and off-currents by varying the Schottky-barrier height and the gate dielectric constant are also presented.     

The effect of carbon nanotube dimensions and dispersion on the fatigue behavior of epoxy nanocomposites

Fatigue is one of the primary reasons for failure in structural materials. It has been demonstrated that carbon nanotubes can suppress fatigue in polymer composites via crack-bridging and a frictional pull-out mechanism. However, a detailed study of the effects of nanotube dimensions and dispersion on the fatigue behavior of nanocomposites has not been performed. In this work, we show the strong effect of carbon nanotube dimensions (i.e.?length, diameter) and dispersion quality on fatigue crack growth suppression in epoxy nanocomposites. We observe that the fatigue crack growth rates can be significantly reduced by (1) reducing the nanotube diameter, (2) increasing the nanotube length and (3) improving the nanotube dispersion. We qualitatively explain these observations by using a fracture mechanics model based on crack-bridging and pull-out of the nanotubes. By optimizing the above parameters (tube length, diameter and dispersion) we demonstrate an over 20-fold reduction in the fatigue crack propagation rate for the nanocomposite epoxy compared to the baseline (unfilled) epoxy.     

Random-telegraph-signal noise and device variability in ballistic nanotube transistors

In field-effect transistors (FETs), charge trapping in the gate oxide is known to cause low-frequency noise and threshold shifts. Here we calculate the effect of single trapped charges in a carbon nanotube FET, using the nonequilibrium Greens function method in a tight-binding approximation. We find that a single charge can shift and even rescale the entire transfer characteristic of the device. This can explain both the large "random telegraph signal" noise and the large variations between nominally identical devices. We examine the dependence on both the thickness and dielectric constant of the gate dielectric, suggesting routes to reduce electrical noise.     

Controlling quantum transport through a single molecule

We investigate multiterminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach within the self-consistent Hartree-Fock approximation. We propose a new device concept, the quantum interference effect transistor, that exploits perfect destructive interference stemming from molecular symmetry and controls current flow by introducing decoherence and/or elastic scattering that break the symmetry. This approach overcomes the fundamental problems of power dissipation and environmental sensitivity that beset nanoscale device proposals.     

Three-dimensional electrostatic effects of carbon nanotube transistors

We explore the three-dimensional (3-D) electrostatics of planar-gate carbon nanotube field-effect transistors (CNTFETs) using a self-consistent solution to the Poisson equation with equilibrium carrier statistics. We examine the effects of the gate insulator thickness and dielectric constant and the source/drain contact geometry on the electrostatics of bottom-gated (BG) and top-gated (TG) devices. We find that the electrostatic scaling length is mostly determined by the gate oxide thickness, not by the oxide dielectric constant. We also find that a high-k gate insulator does not necessarily improve short-channel immunity because it increases the coupling of both the gate and the source/drain contact to the channel. It also increases the parasitic coupling of the source/drain to the gate. Although both the width and the height of the source and drain contacts are important, we find that for the BG device, reducing the width of the 3-D contacts is more effective for improving short channel immunity than reducing the height. The TG device, however, is sensitive to both the width and height of the contact. We find that one-dimensional source and drain contacts promise the best short channel immunity. We also show that an optimized TG device with a thin gate oxide can provide near ideal subthreshold behavior. The results of this paper should provide useful guidance for designing high-performance CNTFETs.     

Photovoltaic response of carbon nanotube-silicon heterojunctions: effect of nanotube film thickness and number of walls

We report on the multiwall carbon nanotube application as energy conversion material to fabricate thin film solar cells, with nanotubes acting as photogeneration sites as well as charge separators, collectors and carrier transporters. The device consists of a semitransparent thin film of nanotubes coating a n-type crystalline silicon substrate. Under illumination electron-hole (e-h) pairs, generated in the nanotubes and in the silicon substrate underneath, are split and charges are transported through the nanotubes (electrons) and the n-Si (holes). We found that a suitable thickness of the nanotube thin film, high density of Schottky junctions between nanotubes and n-Si and lowest number of nanotube walls are all fundamental parameters to improve the device incident photon to electron conversion efficiency. Multiwall carbon nanotubes have been synthesized by chemical vapour deposition in an ultra high vacuum chamber by evaporating a given amount of iron at room temperature and then exposing the substrate kept at 800 degrees C at acetylene gas. The amount of deposited iron is found to directly affect the nanotube size distribution (inner and outer diameter) and therefore the number of walls of the nanotubes.     

Controlled switching of optical emission energies in semiconducting single-walled carbon nanotubes

We present scanning photoluminescence (PL) microscopy of freely suspended single-walled carbon nanotubes grown by chemically assisted vapor deposition (CVD) across micron-sized open apertures. Scans of the PL emission versus excitation position show unusual "holes"having subwavelength spatial features associated with abrupt blue shifts of the emission energy. By varying the excitation polarization, energy, intensity, and position, we demonstrate that optical switching in some nanotubes is controllable in a highly nonlinear manner by adjusting the nonequilibrium carrier density in the nanotube. Technologically important attributes include large spectral contrast between on/off states at room temperature, a dramatic response to small changes in light intensity near threshold, and the possibility that electrical charge injection could also be used to control emission energies.     

High frequency performance of individual and arrays of single-walled carbon nanotubes

We have studied the high frequency performance limits of single-walled carbon nanotube (SWNT) transistors in the diffusive transport regime limited by the acoustic phonon scattering. The relativistic band structure of single-walled carbon nanotubes combined with the acoustic phonon scattering provides an analytical model for the charge transport of the radio frequency transistors. We were able to obtain the intrinsic high frequency performance such as the cut-off frequency and the linearity of the SWNT transistors. We have extended our model to include transistors based on arrays of SWNTs. The effect of electrostatic screening in a dense array of SWNTs on the cut-off frequency is studied.     

Self-aligned ballistic n-type single-walled carbon nanotube field-effect transistors with adjustable threshold voltage

Near ballistic n-type single-walled carbon nanotube field-effect transistors (SWCNT FETs) have been fabricated with a novel self-aligned gate structure and a channel length of about 120 nm on a SWCNT with a diameter of 1.5 nm. The device shows excellent on- and off-state performance, including high transconductance of up to 25 microS, small subthreshold swing of 100 mV/dec, and gate delay time of 0.86 ps, suggesting that the device can potentially work at THz regime. Quantitative analysis on the electrical characteristics of a long channel device fabricated on the same SWCNT reveals that the SWCNT has a mean-free-path of 191 nm, and the electron mobility of the device reaches 4650 cm(2)/Vs. When benchmarked by the metric CV/ I vs Ion/Ioff, the n-type SWCNT FETs show significantly better off-state leakage than that of the Si-based n-type FETs with similar channel length. An important advantage of this self-aligned gate structure is that any suitable gate materials can be used, and in particular it is shown that the threshold voltage of the self-aligned n-type FETs can be adjusted by selecting gate metals with different work functions.     

Ultrahigh Frequency Carbon Nanotube Transistor Based on a Single Nanotube

Single-walled carbon nanotube field-effect transistors (CNT FETs) are predicted to have intrinsic cutoff frequencies approaching the THz range. Here ldquointrinsicrdquo means that the parasitic capacitance due to fringing fields is negligible compared to the gate-source capacitance required to modulate the conductance. In practice, although there are strategies proposed to mitigate this based on parallel arrays of CNT FETs, this parasitic capacitance dominates most geometries (even aligned arrays to date). In this work we show nanotube transistor performance with maximum stable gain above 1 GHz (even including the parasitics) by combining ldquoon-chiprdquo the electrical properties of 100 CNT FETs fabricated on one long nanotube. This also solves the problem of impedance matching by boosting the on current to a large (mA) value, and at the same time allows one to extract properties of each individual CNT FET, since they are identical in electrical characteristics as they are made out of the same CNT. This strategy opens the door to applications of carbon nanotube devices in the RF and microwave frequency range, a technologically relevant portion of the spectrum for both wired and wireless electronics, that has been (until now) incompatible with nanotube device technology.     

Modelling of multi-wall CNT devices by self-consistent analysis of multichannel transport

We present a generalization of the self-consistent analysis of carbon nanotube (CNT) field effect transistors (FETs) to the case of multi-wall/multi-band coherent carrier transport. The contribution to charge diffusion, due to different walls and sub-bands of a multi-wall (mw) CNT is shown to be non-negligible, especially for high applied external voltages and 'large' diameters. The transmission line formalism is used in order to solve the Schr?dinger equation for carrier propagation, coupled to the Poisson equation describing the spatial voltage distribution throughout the device. We provide detailed numerical results for semiconducting mw-nanotubes of different diameters and lengths, such as current-voltage characteristics and frequency responses.     

Thermal buckling and postbuckling behavior of functionally graded carbon nanotube-reinforced composite cylindrical shells

Thermal postbuckling analysis is presented for nanocomposite cylindrical shells reinforced by single-walled carbon nanotubes (SWCNTs) subjected to a uniform temperature rise. The SWCNTs are assumed to be aligned and straight with a uniform layout. Two kinds of carbon nanotube-reinforced composite (CNTRC) shells, namely, uniformly distributed (UD) and functionally graded (FG) reinforcements, are considered. The material properties of FG-CNTRCs are assumed to be graded in the thickness direction, and are estimated through a micromechanical model. The governing equations are based on a higher order shear deformation theory with a von Kármán-type of kinematic nonlinearity. The thermal effects are also included and the material properties of CNTRCs are assumed to be temperature-dependent. Based on the multi-scale approach, numerical illustrations are carried out for perfect and imperfect, FG- and UD-CNTRC shells under different values of the nanotube volume fractions. The results show that the buckling temperature as well as thermal postbuckling strength of the shell can be increased as a result of a functionally graded reinforcement. It is found that in most cases the CNTRC shell with intermediate nanotube volume fraction does not have intermediate buckling temperature and initial thermal postbuckling strength.