First-principles electronic transport properties study of small carbon clusters: Cyclic C6

The transport properties of the six-atom carbon ring cluster C₆ sandwiched between Al(100) electrodes have been investigated by first-principles nonequilibrium Green's function technique. Our results demonstrate that the transport properties of monocyclic C₆ with D3h symmetry, with alternating bond angles, the most stable C₆ isomer, show metallic conductance. The charge transfer between the central molecule and the electrodes is very important for its transport properties. We also compare the equilibrium transmission spectra for C₆ in different isomers.     

Conductance quantization of an ideal Sharvin contact

Thorough calculations of the conductance of an idealized quantum point contact are presented. The point contact is modelled as a configuration in which two conductive half-spaces are separated by a non-conductive planar screen with a circular window of a given radius a. The screen is considered as opaque for the electrons with the exception of the window. From the viewpoint of the electrical conduction, the half-spaces are interpreted as leads which are perfectly coalesced with one another across the window. We assume that the leads are reservoirs of a strongly degenerate gas of electrons. If the leads are made from an n-type degenerate semiconductor, the Fermi wavelength λ_F = 2π/k_F = 2π/(3π²n)^1/3 may be tens of nanometers. The theory of the conductance Γ_S of such a point contact is reconsidered. Within the framework of the approximation that we use assuming that T = 0, we show that the dependence of Γ_S on the variable k_Fa manifests curved steps terminated by singular spikes. Owing to stochastic influences, the spikes should be seen as maxima in measured spectra. We predict that these maxima should demarcate the edges of the steps in the Γ_S vs. k_Fa plot. This prediction is in agreement with the STM observations reported recently by Nagaoka et al. [K. Nagaoka, S. Yaginuma, T. Nagao, T. Nakayama, Phys. Rev. B. 74 (2006) 033310].     

Adsorption and electrochemistry of hemoglobin on Chi-carbon nanotubes composite film

This study describes the noncovalently functionalization of carbon nanotubes (CNTs) with natural biopolymer chitosan (Chi) as substrate for hemoglobin (Hb) immobilization. The noncovalently Chi-functionalized CNTs possessed an improved solubility in aqueous solution and was beneficial to form three-dimensional configuration of the CNTs film electrode. The adsorbed Hb in Chi-CNTs interface showed a pair of quasi-reversible redox peak with a formal potential of −0.34 V (vs. SCE) in 0.10 M pH 7.0 phosphate buffer solution and possessed good bioelectrochemical catalytic activities toward the reductions of H₂O₂.     

Electron transport in a double quantum ring: Evidence of an AND gate

We explore AND gate response in a double quantum ring where each ring is threaded by a magnetic flux ?. The double quantum ring is attached symmetrically to two semi-infinite one-dimensional metallic electrodes and two gate voltages, namely, Va and Vb, are applied, respectively, in the lower arms of the two rings which are treated as two inputs of the AND gate. The system is described in the tight-binding framework and the calculations are done using the Green's function formalism. Here we numerically compute the conductance-energy and current-voltage characteristics as functions of the ring-to-electrode coupling strengths, magnetic flux and gate voltages. Our study suggests that, for a typical value of the magnetic flux ?=?₀/2 (?₀=ch/e, the elementary flux-quantum) a high output current (1) (in the logical sense) appears only if both the two inputs to the gate are high (1), while if neither or only one input to the gate is high (1), a low output current (0) results. It clearly demonstrates the AND gate behavior and this aspect may be utilized in designing an electronic logic gate.     

Persistent current in one-dimensional mesoscopic ring with a stub

The transport property of electron in a quantum ring-stub system is investigated through quantum waveguide theory. The persistent current is produced and controlled by tuning the length of the stub even in the absence of the magnetic field, and it can be observed if one tuning the Fermi energy near the antiresonance or the Fano resonance of the transport current.     

Effects of surface roughness on the electrical characteristics of ZnO nanowire field effect transistors

We have systematically investigated the effects of surface roughness on the electrical characteristics of ZnO nanowire field effect transistors (FETs) before and after passivation by poly (methyl metahacrylate) (PMMA), a polymer-insulating layer. To control the surface morphology of ZnO nanowires, ZnO nanowires were grown by the vapor transport method on two different substrates, namely, an Au-catalyzed sapphire and an Au-catalyzed ZnO film/sapphire. ZnO nanowires grown on the Au-catalyzed sapphire substrate had smooth surfaces, whereas those grown on the Au-catalyzed ZnO film had rough surfaces. Electrical characteristics such as the threshold voltage shift and transconductance before and after passivation were strongly affected by the surface morphology of ZnO nanowires.     

On the role of electron correlation and disorder on persistent currents in isolated one-dimensional rings

To understand the role of electron correlation and disorder on persistent currents in isolated 1D rings threaded by magnetic flux ?, we study the behavior of persistent currents in aperiodic and ordered binary alloy rings. These systems may be regarded as disordered systems with well-defined long-range order so that we do not have to perform any configuration averaging of the physical quantities. We see that in the absence of interaction, disorder suppresses persistent currents by orders of magnitude and also removes its discontinuity as a function of ?. As we introduce electron correlation, we get enhancement of the currents in certain disordered rings. Quite interestingly we observe that in some cases, electron correlation produces kink-like structures in the persistent current as a function of ?. This may be considered as anomalous Aharonov-Bohm oscillations of the persistent current and recent experimental observations support such oscillations. We find that the persistent current converges with the size of the rings.     

A deterministic solver for a hybrid quantum-classical transport model in nanoMOSFETs

We model a nanoMOSFET by a mesoscopic, time-dependent, coupled quantum-classical system based on a sub-band decomposition and a simple scattering operator. We first compute the sub-band decomposition and electrostatic force field described by a Schrödinger–Poisson coupled system solved by a Newton–Raphson iteration using the eigenvalue/eigenfunction decomposition. The transport in the classical direction for each sub-band modeled by semiclassical Boltzmann-type equations is solved by conservative semi-lagrangian characteristic-based methods. Numerical results are shown for both the thermodynamical equilibrium and time-dependent simulations in typical nowadays nanoMOSFETs.     

Persistent current and transmission probability in the Aharonov-Bohm ring with an embedded quantum dot

Persistent current and transmission probability in the Aharonov-Bohm (AB) ring with an embedded quantum dot (QD) are studied using the technique of the scattering matrix. For the first time, we find that the persistent current can arise in the absence of magnetic flux in the ring with an embedded QD. The persistent current and the transmission probability are sensitive to the lead-ring coupling and the short-range potential barrier. It is shown that increasing the lead-ring coupling or the short-range potential barrier causes the suppression of the persistent current and the increasing resonance width of the transmission probability. The effect of the potential barrier on the number of the transmission peaks is also investigated. The dependence of the persistent current and the transmission probability on the magnetic flux exhibits a periodic property with period of the flux quantum.     

Gap-mediated magnetization of a pseudo-one-dimensional system with a spin-orbit interaction

We argue that a pseudo-one-dimensional electron gas is magnetized when a voltage bias is applied with the Fermi level tuned to be in the energy gap generated by a spin-orbit interaction. The magnetization is an indication of spin-carrying currents due to the spin-orbit interaction. The origin of the magnetization, however, is essentially different from the “spin accumulation” in two-dimensional systems with spin-orbit interactions.     

Ac-cotunneling through an interacting quantum dot in a magnetic field

We analyze inelastic cotunneling through an interacting quantum dot subject to an ambient magnetic field in the weak tunneling regime under a non-adiabatic time-dependent bias-voltage. Our results clearly exhibit photon-assisted satellites and an overall suppression of differential conductance with increasing driving amplitude, which is consistent with experiments. We also predict a zero-anomaly in differential conductance under an appropriate driving frequency.     

Spin-flip transport through an interacting quantum dot

The spin-flip associated transport based on the Anderson model is studied. It is found that the electrons are scattered due to spin-flip effect via the normal, mixed and Kondo channels. The spin-flip scattering via Kondo channel enhances the Kondo resonance peak and causes a slight blue shift. The conductance is suppressed by the spin-flip scattering. This is attributed to the reason that electrons with energy near Fermi level are scattered by Kondo channel.     

Simple approach to the mesoscopic open electron resonator: quantum current oscillations

The open electron resonator, described by Duncan et al. [D.S. Duncan, M.A. Topinka, R.M. Westervelt, K.D. Maranowski, A.C. Gossard, Phys. Rev. B 64 (2001) 033310. [1]], is a mesoscopic device that has attracted considerable attention due to its remarkable behaviour (conductance oscillations), which has been explained by detailed theories based on the behaviour of electrons at the top of the Fermi sea. In this work, we study the resonator using the simple quantum quantum electrical circuit approach, developed recently by Li and Chen [Y.Q. Li, B. Chen, Phys. Rev. B 53 (1996) 4027. [2]]. With this approach, and considering a very simple capacitor-like model of the system, we are able to theoretically reproduce the observed conductance oscillations. A very remarkable feature of the simple theory developed here is the fact that the predictions depend mostly on very general facts, namely, the discrete nature of electric charge and quantum mechanics; other detailed features of the systems described enter as parameters of the system, such as capacities and inductances.     

Tuning of electron transport through a moebius strip: Shot noise

We study electron transport through a moebius strip attached to two metallic electrodes by the use of a Green’s function technique. A parametric approach is used based on the tight-binding model to characterize the electron transport through such a bridge system and it is observed that the transport properties are significantly affected by (a) the transverse hopping strength between the two channels and (b) the strip-to-electrodes coupling strength. In this context we also describe the noise power of the current fluctuations, which provide key information about the electron correlation which is obtained by calculating the Fano factor (F). The knowledge of these current fluctuations gives important ideas for the fabrication of efficient molecular devices.     

Enhanced field emission and patterned emitter device fabrication of metal-tetracyanoquinodimethane nanowires array

Ag(TCNQ) and Cu(TCNQ) nanowires were synthesized via vapor-transport reaction method at a low temperature of 100 °C. Field emission properties of the as-obtained nanowires on ITO glass substrates were studied. The turn-on electric fields of Ag(TCNQ) and Cu(TCNQ) nanowires were 9.7 and 7.6 V/μm (with emission current of 10 μA/cm²), respectively. The turn-on electric fields of Ag(TCNQ) and Cu(TCNQ) nanowires decreased to 6 and 2.2 V/μm, and the emission current densities increased by two orders at a field of 8 V/μm with a homogeneous-like metal (e.g. Cu for Cu(TCNQ)) buffer layer to the substrate. The improved field emission is due to the better conduct in the nanowires/substrate interface and higher internal conductance of the nanowires. The patterned field emission cathode was then fabricated by localized growing M-TCNQ nanowires onto mask-deposited metal film buffer layer. The emission luminance was measured to be 810 cd/m² at a field of 8.5 V/μm.     

Transport properties of a double quantum dot molecule in the presence of impurity effects

In this Letter, we studied the electronic transport through a parallel-coupled double quantum dot (DQD) molecule including impurity effects at zero temperature. The linear conductance can be calculated by using the Green's function method. An obvious Fano resonance arising from the impurity state in the quantum dot is observed for the symmetric dot-lead coupling structure in the absence of the magnetic flux through the quantum device. When the magnetic flux is presented, two groups of conductance peaks appear in the linear conductance spectra. Each group is decomposed into one Breit-Wigner and one Fano resonances. Tuning the system parameters, we can control effectively the shapes of these conductance peaks. The Aharonov-Bohm (AB) oscillation for the magnetic flux is also studied. The oscillation period of the linear conductance with π, 2π or 4π may be observed by tuning the interdot tunneling coupling or the dot-impurity coupling strengths.     

Coherent population transfer in a chain of tunnel coupled quantum dots

We consider the dynamics of a single electron in a chain of tunnel coupled quantum dots, exploring the formal analogies of this system with some of the laser-driven multilevel atomic or molecular systems studied by Bruce W. Shore and collaborators over the last 30 years. In particular, we describe two regimes for achieving complete coherent transfer of population in such a multistate system. In the first regime, by carefully arranging the coupling strengths, the flow of population between the states of the system can be made periodic in time. In the second regime, by employing a “counterintuitive” sequence of couplings, the coherent population trapping eigenstate of the system can be rotated from the initial to the final desired state, which is an equivalent of the STIRAP technique for atoms or molecules. Our results may be useful in future quantum computation schemes.     

Magnetic field effects and renormalization of the long-range Coulomb interaction in carbon nanotubes

We develop two theoretical approaches for dealing with the low-energy effects of the repulsive interaction in one-dimensional electron systems. Renormalization Group methods allow us to study the low-energy behavior of the unscreened interaction between currents of well-defined chirality in a strictly one-dimensional electron system. A dimensional regularization approach is useful, when dealing with the low-energy effects of the long-range Coulomb interaction. This method allows us to avoid the infrared singularities arising from the long-range Coulomb interaction at D = 1. We can also compare these approaches with the Luttinger model, to analyze the effects of the short-range term in the interaction. Thanks to these methods, we are able to discuss the effects of a strong magnetic field B in quasi one-dimensional electron systems, by focusing our attention on Carbon Nanotubes. Our results imply a variation with B in the value of the critical exponent α for the tunneling density of states, which is in fair agreement with that observed in a recent transport experiment involving carbon nanotubes. The dimensional regularization allows us to predict the disappearance of the Luttinger liquid, when the magnetic field increases, with the formation of a chiral liquid with α = 0.     

Transport through a quantum dot subject to spin and charge bias

Spin and charge transport through a quantum dot coupled to external nonmagnetic leads is analyzed theoretically in terms of the non-equilibrium Green function formalism based on the equation of motion method. The dot is assumed to be subject to spin and charge bias, and the considerations are focused on the Kondo effect in spin and charge transport. It is shown that the differential spin conductance as a function of spin bias reveals a typical zero-bias Kondo anomaly which becomes split when either magnetic field or charge bias are applied. Significantly different behavior is found for mixed charge/spin conductance. The influence of electron-phonon coupling in the dot on tunneling current as well as on both spin and charge conductance is also analyzed.     

CrAs(0 0 1)/AlAs(0 0 1) heterogeneous junction as a spin current diode predicted by first-principles calculations

We report on first-principles calculations of spin-dependent quantum transport in a CrAs(0 0 1)/AlAs(0 0 1) heterogeneous junction and predict a strong diode effect of charge and spin current. The minority spin current is absolutely inhibited when the bias voltage is applied to the terminals of both CrAs and AlAs. The majority spin current is inhibited when the bias voltage is applied to the terminal of CrAs and “relaxed” when the bias voltage is applied to the terminal of AlAs. The charge and spin current diode are promising for reprogrammable logic applications in the field of spintronics.