Negative differential resistance in a carbon nanotube-based molecular junction

By applying non-equilibrium Green's function formalism combined with first-principles density functional theory, we have investigated the electronic transport properties of a carbon nanotube-based molecular junction with different terminations (H-, C- and N-). The results show that the different terminations at the carbon nanotube ends strongly affect the transport properties of the junction. The current through the N-terminated carbon nanotube junction is significant larger than that through the H- and C-terminated junctions at low biases. Moreover, negative differential resistance behaviors can be observed in the N-terminated carbon nanotube junction, whereas not in the other two cases.     

Effect of Chirality on the Electronic Transport Properties of the Thioxanthene-Based Molecular Switch

Based on the nonequilibrium Green function method and density functional theory calculations,we theoretically investigate the effect of chirality on the electronic transport properties of thioxanthene-based molecular switch.The molecule comprises the switch which can exhibit different chiralities,that is,cis-form and trans-form by ultraviolet or visible irradiation.The results clearly reveal that the switching behaviors can be realized when the molecule converts between cis-form and trans-form.Furthermore,the on-off ratio can be modulated by the chirality of the carbon nanotube electrodes.The maximum on-off ratio can reach 109 at 0.4 V for the armchair junction,suggesting potential applications of this type of junctions in future design of functional molecular devices.     

Effect of carbon nanotubes chirality on the E–C photo-isomerization switching behavior in moelcular device

Applying nonequilibrium Green's function formalism in combination with the first-principles density functional theory, we investigate the electronic transport properties of optical molecular switch based on the fulgide molecule with two different single-walled carbon nanotube (SWCNT) electrodes. The molecule that comprises the switch can convert between E isomer and C isomer by ultraviolet or visible irradiation. Theoretical results show that these two isomers exhibit very different conductance properties both in armchair and zigzag junction, which can realize the on and off states of the molecular switch. Meantime, the chirality of the SWCNT electrodes strongly affects the switching characteristics of the molecular junctions, which is useful for the design of functional molecular devices.     

Gate-tuned high frequency response of carbon nanotube Josephson junctions

Carbon nanotube Josephson junctions in the open quantum dot limit are fabricated using Pd/Al bilayer electrodes, and exhibit gate-controlled superconducting switching currents. Shapiro voltage steps can be observed under radio frequency current excitations, with a damping of the phase dynamics that strongly depends on the gate voltage. These measurements are described by a standard resistively and capacitively shunted junction model showing that the switching currents from the superconducting to the normal state are close to the critical current of the junction. The effective dynamical capacitance of the nanotube junction is found to be strongly gate dependent, suggesting a diffusive contact of the nanotube.     

Electronic transport characteristic of an individual CNx/C nanotube Schottky junction

Electrical transport properties of a Schottky junction consisting of carbon nanotube and nitrogen-doped carbon nanotube were studied. The current-voltage characteristics of the junction exhibited reproducible rectifying behavior which could be explained by the Schottky barrier junction. The barrier height and the ideal factor were determined by fitting the current-voltage characteristics to the generalized diode equation. A near power-law dependence of I∼V^m was observed, where the exponent m increases with decreasing temperature. This effect can be accounted for by filling of deep traps at lower temperatures. The charge transport in the nanotubes is found to be strongly controlled and limited by the highly defective trap state originated from structural and chemical defects due to the doping of nitrogen in the CN_x nanotube part. PACS 73.63.Fg; 73.63.Rt; 85.30.Kk     

Direct observation of localized defect States in semiconductor nanotube junctions

We report scanning tunneling microscopy of semiconductor-semiconductor carbon nanotube junctions with different band gaps. Characteristic features of the wave functions at different energy levels, such as a localized defect state, are clearly exhibited in the atomically resolved scanning tunneling spectroscopy. The peaks of the Van Hove singularity on each side penetrate and decay into the opposite side across the junction over a distance of approximately 2 nm. These experimental features are accounted for, with the help of tight-binding calculation, by the presence of pentagon-heptagon pair defects at the junction.     

Spin-Filter Effect Induced by Magnetic Edge States of Zigzag Carbon Nanotube

Spin-filter effect is predicted in a weak coupled junction composed of a nonmagnetic metal electrode and a zigzag carbon nanotube. This effect is induced by the magnetic edge states of the nanotube, and can produce spin- polarized current in the absence of an external magnetic field. We find that the spin polarization of the current changes its sign at the half-filling point of the nanotube, thus electric field control of spin transport can be realized. Furthermore, we find the coupling strength of the junction may cause a magnetic transition on the edge of the nanotube.     

STM/STS investigation of carbon nanotube junctions

In this paper we present scanning tunneling microscopy/spectroscopy investigations of multiwall carbon nanotube junctions. We concentrated on bent and narrowing junctions, which my be formed by introducing pentagon–heptagon defects into a hexagonal network of a carbon nanotube. It was expected that the defects introduced to the nanotube could cause changes in the local density of states. The scanning tunneling spectroscopy results were used to search for and identify these defects. We also discuss a hypothesis for a combination of a telescope junction and a pentagon–heptagon induced junction. PACS 68.37.Ef; 73.22.–f; 61.46.Fg; 71.20.Tx     

Electronic structures and transport properties of sulfurized carbon nanotubes

The electronic and transport properties of side-walled sulfurized (8, 0) zigzag carbon nanotube were investigated by using density functional theory coupled with a non-equilibrium Green function approach. It is found that the adsorption of the sulfur chains largely reduces the bandgap of the semiconducting (8, 0) carbon nanotube, even changing it into a metallic one. More importantly, the transmission eigenstates around the Fermi level are contributed by not only the sulfur chains but also the complex system made of the sulfur chains and the single-walled carbon nanotube. Our results provide a method to improve the conductivity and utilization rate of the surface in the electrodes of supercapacitor which are made of the carbon nanotubes.     

Local pressure-induced metallization of a semiconducting carbon nanotube in a crossed junction

The electronic and vibrational density of states of a semiconducting carbon nanotube in a crossed junction was investigated by elastic and inelastic scanning tunneling spectroscopy. The strong radial compression of the nanotube at the junction induces local metallization spatially confined to a few nanometers. The local electronic modifications are correlated with the observed changes in the radial breathing and G band phonon modes, which react very sensitively to local mechanical deformation. In addition, the experiments reveal the crucial contribution of the image charges to the contact potential at nanotube-metal interfaces.     

First-principles study of transport of V doped boron nitride nanotube

We perform first-principles calculations of spin-dependent quantum transport in V doped boron nitride nanotube: the junction of pristine (6,0) boron nitride nanotube in contact with V doped (6,0) boron nitride nanotube electrodes. Large tunnel magnetoresistance and perfect spin filtration effect are obtained. The zero bias tunnel magnetoresistance is found to be several thousand percent, it reduces monotonically to zero with a voltage scale of about 0.65 V, and eventually goes to negative values after the bias of 0.65 V. The ratio of spin injection is above 95% till the bias of 0.85 V and is even as large as 99% for the bias from 0.25 eV to 0.55 eV when the magnetic configurations of two electrodes are parallel. The understanding of the spin-dependent nonequilibrium transport is presented by investigating microscopic details of the transmission coefficients.     

Quantum criticality in a Mott pn junction in an armchair carbon nanotube

In an armchair carbon nanotube pn junction the p and n regions are separated by a region of a Mott insulator, which can backscatter electrons only in pairs. We predict a quantum-critical behavior in such a pn junction. Depending on the junction's built-in electric field E, its conductance G scales either to zero or to 4e(2)/h as the temperature T is lowered. The two types of the G(T) dependence indicate the existence, at some special value of E, of an intermediate quantum-critical point with a finite conductance G<4e(2)/h. This makes the pn junction drastically different from a simple potential barrier in a Luttinger liquid.     

Role of fermi-level pinning in nanotube schottky diodes

At semiconductor-metal junctions, the Schottky barrier height is generally fixed by "Fermi-level pinning." We find that when a semiconducting carbon nanotube is end contacted to a metal (the optimal geometry for nanodevices), the behavior is radically different. Even when the Fermi level is fully "pinned" at the interface, the turn-on voltage is that expected for an unpinned junction. Thus the threshold may be adjusted for optimal device performance, which is not possible in planar contacts. Similar behavior is expected at heterojunctions between nanotubes and semiconductors.     

Highly conductive molecular junctions based on direct binding of benzene to platinum electrodes

Highly conductive molecular junctions were formed by direct binding of benzene molecules between two Pt electrodes. Measurements of conductance, isotopic shift in inelastic spectroscopy, and shot noise compared with calculations provide indications for a stable molecular junction where the benzene molecule is preserved intact and bonded to the Pt leads via carbon atoms. The junction has a conductance comparable to that for metallic atomic junctions (around 0.1-1G0), where the conductance and the number of transmission channels are controlled by the molecule's orientation at different interelectrode distances.     

Contact transparency inducing negative differential resistance in nanotube–molecule–nanotube junction predicted by first-principles study

We construct a molecular junction where propyl contacts two armchair carbon nanotubes through five-member ring and perform the first-principles calculations of its transport properties. The negative differential resistance effect with peak-to-valley ratio of 700% is present. Our investigations indicate that contact transparency can induce negative differential resistance in nanotube–molecule–nanotube junction, which may promise the potential application in nano-electronics devices in the future.     

dc Josephson effect in metallic single-walled carbon nanotubes

The dc Josephson effect is investigated in a single-walled metallic carbon nanotube connected to two superconducting leads. In particular, by using the Luttinger liquid theory, we analyze the effects of the electron-electron interaction on the supercurrent. We find that in the long junction limit the strong electronic correlations of the nanotube, together with its peculiar band structure, induce oscillations in the critical current as a function of the junction length and/or the nanotube electron filling. These oscillations represent a signature of the Luttinger liquid physics of the nanotube, for they are absent if the interaction is vanishing. We show that this effect can be exploited to reverse the sign of the supercurrent, realizing a tunable π-junction.     

Many-body effects in finite metallic carbon nanotubes

The nonhomogeneity of the charge distribution in a carbon nanotube leads to the formation of an excitonic resonance, in a way similar to the one observed in x-ray absorption in metals. As a result, a positive anomaly at low bias appears in the tunneling density of states. This effect depends on the screening of the electron-electron interactions by metallic gates, and it modifies the coupling of the nanotube to normal and superconducting electrodes.     

Raman spectral imaging of a carbon nanotube intramolecular junction

Confocal Raman spectral imaging results are presented for a metal-to-semiconductor intramolecular junction (IMJ) on an isolated carbon nanotube. Spectra observed at the junction are consistent with the symmetry lowering expected from the occurrence of pentagon-heptagon defects to produce the chirality shift. The IMJ transition zone is sharp and preserves the nanotube diameter. These results have significant implications for the future use of IMJs as electronic devices, including how prevalent these structures are and how their growth may be rationally targeted. Raman imaging has been demonstrated to be a powerful tool for IMJ studies and provides a more accessible method for further studies of IMJ structure and growth.     

Electronic transport properties of junctions between carbon nanotubes and graphene nanoribbons

Using the tight-binding model and Green’s function method, we studied the electronic transport of four kinds of nanotube-graphene junctions. The results show the transport properties depend on both types of the carbon nanotube and graphene nanoribbon, metal or semiconducting. Moreover, the defect at the nanotube-graphene interface did not affect the conductance of the whole system at the Fermi level. In the double junction of nanotube/nanoribbon/nanotube, quasibound states are found, which cause antiresonance and result in conductance dips.     

Electronic transport across a junction between armchair graphene nanotube and zigzag nanoribbon

Based on the well known nearest-neighbor tight-binding approximation for graphene, an exact expression for the electronic conductance across a zigzag nanoribbon/armchair nanotube junction is presented for non-interacting electrons. The junction results from the removal of a half-row of zigzag dimers in armchair nanotube, or equivalently by partial rolling of zigzag nanoribbon and insertion of a half-row of zigzag dimers in between. From the former point of view, a discrete form of Dirichlet condition is imposed on a zigzag half-line of dimers assuming the vanishing of wave function outside the physical structure. A closed form expression is provided for the reflection and transmission moduli for the outgoing wave modes for each given electronic wave mode incident from either side of the junction. It is demonstrated that such a contact junction between the nanotube and nanoribbon exhibits negligible backscattering, and the transmission has been found to be nearly ballistic. In contrast to the previously reported studies for partially unzipped carbon nanotubes (CNTs), using the same tight binding model, it is found that due to the “defect” there is certain amount of mixing between the electronic wave modes with even and odd reflection symmetries. But the junction remains a perfect valley filter for CNTs at certain energy ranges. Applications aside from the electronic case, include wave propagation in quasi-one-dimensional honeycomb structures of graphene-like constitution. The paper includes several numerical calculations, analytical derivations, and graphical results, which complement the provision of succinct closed form expressions.