Investigation of superconductivity in the single-walled carbon nanotubes

Superconductivity in the single-walled carbon nanotubes is investigated. First, effect of diameter increasing on the clean systems critical temperature, T_c, is calculated. Then effect of impurity doping on the reduction of critical temperature T_c, of single-walled carbon nanotubes, is discussed. Our calculations illustrate that metallic zigzag single-walled carbon nanotubes have higher T_c than armchair single-walled carbon nanotubes with approximately same diameters and T_c decreases by increasing diameter. This can explain why superconductivity could be found in the small diameter single-walled carbon nanotubes. We found for the impurity doped systems, impurity in the strong scattering regime can decrease T_c significantly while in the weak scattering regime T_c is not affected by impurity doping.     

Review on the symmetry-related properties of carbon nanotubes

In this work we review the basic properties of carbon nanotubes from the standpoint of group theory. The zone folding scheme is reviewed in the light of the helical symmetry of the nanotube. The group theory for chiral and achiral nanotubes is reviewed, and the representations of the factor group of the wavevector k are obtained. The similarities and differences between the formalism of the group of the wavevector and that of line groups are addressed with respect to the irreducible representations and quantum numbers associated with linear and angular momenta. Finally, we extend the results of group theory to illuminate the electronic and vibrational properties of carbon nanotubes. Selection rules for the optical absorption and double resonance Raman scattering are discussed for the case where the electron–electron interaction is negligible (metallic nanotubes) and for the case where exciton binding energies are strong and cannot be neglected.     

Electronic structure of BN nanotubes with intrinsic defects NB and BN and isoelectronic substitutional impurities PN, AsN, SbN, InB, GaB, and AlB

The effect of intrinsic defects and isoelectronic substitutional impurities on the electronic structure of boron-nitride (BN) nanotubes is investigated using a linearized augmented cylindrical wave method and the local density functional and muffin-tin approximations for the electron potential. In this method, the electronic spectrum of a system is governed by a free movement of electrons in the interatomic space between cylindrical barriers and by a scattering of electrons from the atomic centers. Nanotubes with extended defects of substitution N_B of a boron atom by a nitrogen atom and, vice versa, nitrogen by boron B_N with one defect per one, two, and three unit cells are considered. It is shown that the presence of such defects significantly affects the band structure of the BN nanotubes. A defect band π(B, N) is formed in the optical gap, which reduces the width of the gap. The presence of impurities also affects the valence band: the widths of s, sp, and p_π bands change and the gap between s and sp bands is partially filled. A partial substitution of the N by P atoms leads to a decrease in the energy gap, to a separation of the Ds(P) band from the high-energy region of the s(B, N) band, as well as to the formation of the impurity Dπ(P) and Dπ*(P) bands, which form the valence-band top and conduction-band bottom in the doped system. The influence of partial substitution of N atoms by the As atom on the electronic structure of BN nanotubes is qualitatively similar to the case of phosphorus, but the optical gap becomes smaller. The optical gap of the BN tubule is virtually closed due to the effect of one Sb atom impurity per translational unit cell, in contrast to the weak indium-induced perturbation of the band structure of the BN nanotube. Introduction of the one In, Ga or Al atom per three unit cells of the (5, 5) BN nanotube results in 0.6 eV increase of the optical gap. The above effects can be detected by optical and photoelectron spectroscopy methods, as well as by measuring electrical properties of the pure and doped BN nanotubes. They can be used to design electronic devices based on BN nanotubes.     

Electron transport and hot phonons in carbon nanotubes

We demonstrate the key role of phonon occupation in limiting the high-field ballistic transport in metallic carbon nanotubes. In particular, we provide a simple analytic formula for the electron transport scattering length, which we validate by accurate first principles calculations on (6, 6) and (11, 11) nanotubes. The comparison of our results with the scattering lengths fitted from experimental I-V curves indicates the presence of a nonequilibrium optical phonon heating induced by electron transport. We predict an effective temperature for optical phonons of thousands Kelvin.     

Electron scattering and transport phenomena in small-gap zinc-blende semiconductors

We give expressions for electrical conductivity, thermoelectric power and thermal conductivity of conduction band electrons in small-gap zinc-blende semiconductors, obtained by solving the Boltzmann equation by a variational procedure. The term resulting from the phonon-drag is included in the Boltzmann equation. The following electron scattering mechanisms are investigated: inter and intraband scattering by optical phonons via polar and nonpolar interactions, scattering by charged centers (ionized defects and heavy holes) and by neutral centers, as well as scattering by acoustic phonons. Particular attention is paid to the screening of the electron-optical phonon polar interaction by free carriers, which is particularly important in the case of a linear energy band. The formula for the intraband RPA dielectric function for the case of the linear band is given.The general formulation of all the problems investigated permits direct application of the results given in this paper to both intrinsic or n-type HgTe-type and InSb-type semiconductors, including mixed crystals, e.g. Cd_xHg_1?xSe near the cross point.     

Simple and accurate model for voltage-dependent resistance of metallic carbon nanotube interconnects: An ab initio study

In this work, development of a voltage dependent resistance model for metallic carbon nanotubes is aimed. Firstly, the resistance of metallic carbon nanotube interconnects are obtained from ab initio simulations and then the voltage dependence of the resistance is modeled through regression. Self-consistent non-equilibrium Green's function formalism combined with density functional theory is used for calculating the voltage dependent resistance of metallic carbon nanotubes. It is shown that voltage dependent resistances of carbon nanotubes can be accurately modeled as a polynomial function which enables rapid integration of carbon nanotube interconnect models into electronic design automation tools.     

Phonon conductivity of insulators and semiconductors

Phonon conductivity calculations for materials from groups IV, III–V, II–VI and I–VII are presented. The method uses an effective relaxation time for a phonon taking into account departure from equilibrium of all other phonons which participate in both three-phonon N- and U-processes. It is shown that an important role is played by the off-diagonal part of the three-phonon collision operator above the boundary regime. In particular it is found that the off-diagonal U-processes operator gives a negative contribution to the conductivity at high temperatures. The role of optical phonons in heat transport and in acoustic-optical phonon scattering is also studied. For materials with the mass ratio m₁/m₂ ? 1 we have used the Debye dispersion law in the ‘reduced zone’ scheme, while for materials with m₁/m₂ > 1 but <4 we have used the Debye dispersion law for the acoustic phonons and the Einstein dispersion law or the optical phonons. Inclusion of the optical phonons does not modify the temperature dependence of the conductivity but does change the magnitude significantly.     

激光作用下薄膜中的电子-声子散射速率

激光功率密度达到太瓦级时，光学激光薄膜破坏中雪崩机制占主导地位. 研究雪崩破坏机理，必然涉及到电子吸收激光能量的速率和电子损耗能量的速率，这些都与电子和声子的散射有密切的联系. 所以，电子受到的散射速率是研究雪崩机制的前提和基础. 本文分析了截断散射声子波矢对散射速率的影响，得到散射速率与电子能量的依赖关系，与其他理论及实验结果一致. 同时还对耦合参数进行了修正，得到了依赖声子波矢的耦合参数，修正结果表明在不改变散射速率与高能电子能量依赖关系的基础上，散射速率整体降低了. 关键词： 激光 薄膜 电子 声子     

Electronic thermal conduction in suspended graphene

The electronic thermal conductivity (ETC), κ_e, of suspended graphene (SG) is studied for 15<T<400 K, following the Boltzmann transport formalism. The electrons are considered to be scattered from defects along with the intrinsic in-plane acoustic phonons, out-of-plane flexural phonons (FPs) and optical phonons. The ETC is evaluated by computing the first-order perturbation distribution function by directly solving the linearized Boltzmann equation by an iterative method. Numerical calculations of the temperature and concentration dependences of κ_e show the dominance of charged impurity scattering at lower temperatures (T<75 K) and of FPs at higher temperatures. The results are compared with the commonly used low-temperature and high-energy relaxation time approximations. Our calculations are in good agreement with recent κ_e data extracted for high-mobility SG samples. The validity of Wiedemann–Franz law is also discussed.     

Scattering mechanisms and warm electrons associated with vertical transport in GAAS/ALAS superlattices

We have studied the vertical transport properties of short period GaAs/AlAs superlattices (SLs) in the temperature range of 4.2K up to 300K. We present a discussion of the scattering mechanisms which influence the electronic temperature. A semi-phenomenological formulation of the drift velocity and of the current intensity have been developed, taking into account the warm-electron effect it produces different values of the critical voltages associated with: (i) appearance of instabilities of the currant intensity and, (ii) the voltage associated to the drift velocity maximum. Experimental evidence of this separation has been reported. Our results have been compared with analytical expressions. We have shown that the scattering is dominated by roughness for temperatures in the range of T₀ = 4.2 K up to T₀ = 200 K typically. For higher temperatures, optical phonon scattering is comparably strong. Scattering processes involving atypical optical phonons are significant for explaning the decrease of the total scattering time in the temperature range of 50 K to 150 K, and it cannot be completely neglected at room temperature.     

Raman scattering of NiS2

Raman scattering measurements of NiS₂ is done and five optical phonon peaks are found. These peaks are assigned to A_g, E_g and 3T_g phonons which are all of the Raman active optical phonons in pyrite-type crystal. The results are compared with those of FeS₂ and MnS₂.     

Microcavity polariton scattering probed by coherent control experiments

We present coherent control experiments which simultaneously probe both the coherence and the population dynamics of the exciton–photon polariton states in a semiconductor microcavity. The coherent manipulation of either the spin orientation or the density of polaritons is demonstrated leading to the measurement of the optical dephasing time. The polariton scattering by acoustical phonons or by mutual collision processes are investigated by a simultaneous measurement of both the optical dephasing time T₂and the decay time T₁of the radiant states. These results clearly evidence a quenching of the different scattering processes at resonance.     

Negative differential conductance and hot phonons in suspended nanotube molecular wires

Freely suspended metallic single-walled carbon nanotubes (SWNTs) exhibit reduced current carrying ability compared to those lying on substrates, and striking negative differential conductance at low electric fields. Theoretical analysis reveals significant self-heating effects including electron scattering by hot nonequilibrium optical phonons. Electron transport characteristics under strong self-heating are exploited for the first time to probe the thermal conductivity of individual SWNTs (approximately 3600 W m-1 K-1 at T=300 K) up to approximately 700 K, and reveal a 1/T dependence expected for umklapp phonon scattering at high temperatures.     

Resonant Raman scattering in nanostructures with InGaAs/AlAs quantum dots

Raman scattering by optical phonons in In_xGa_{1 ? x} As/AlAs nanostructures with quantum dots has been studied experimentally for compositions corresponding to x = 0.3?1 under out-resonance conditions. Features due to scattering by GaAs-and InAs-like optical phonons in quantum dots have been detected, and the phonon frequencies have been determined as a function of the dot composition. With increasing excitation energy, a red shift is observed in the frequency of the GaAs-like phonon in quantum dots, which testifies to Raman scattering selective by the size of quantum dots. Under resonant conditions, multiphonon light scattering by optical and interface phonons is observed up to the third order, including overtones of the first-order phonons of InGaAs and AlAs materials and their combinations.     

High-field electrical transport in single-wall carbon nanotubes

Using low-resistance electrical contacts, we have measured the intrinsic high-field transport properties of metallic single-wall carbon nanotubes. Individual nanotubes appear to be able to carry currents with a density exceeding 10(9) A/cm(2). As the bias voltage is increased, the conductance drops dramatically due to scattering of electrons. We show that the current-voltage characteristics can be explained by considering optical or zone-boundary phonon emission as the dominant scattering mechanism at high field.     

Free carrier absorption in quantizing magnetic fields: Nonpolar optical phonon scattering

A quantum theory of free carrier absorption in nondegenerate semiconductors and in strong magnetic fields which was previously developed to treat the case when acoustic phonon scattering dominates the free carrier absorption process [1] is extended to treat the case when nonpolar optical scattering is important. When the electromagnetic radiation field is polarized parallel to the direction of the applied magnetic field, results are obtained which are similar to those when acoustic phonon scattering is dominant. The free carrier absorption is an oscillatory function of the magnetic field which on the average increases in magnitude with the magnetic field. However, more structure in the free carrier absorption occurs when nonpolar optical phonon scattering dominates. This is due to the fact that there are two periods in the oscillatory magnetic field dependence associated with the emission or the absorption of optical phonons during the intraband transitions. When the cyclotron frequency exceeds the sum of the photon and optical phonon frequencies, i.e. ω_c > θ + ω_o, the free carrier absorption is predicted to increase linearly with magnetic field when ?ω_c? k_BT. The magnetic field dependence of the free carrier absorption can be explained in terms of phonon-assisted transitions between the various Landau levels in a band involving the emission and absorption of optical phonons.     

Phonon dispersions in graphene sheet and single-walled carbon nanotubes

In the present research paper, phonons in graphene sheet have been calculated by constructing a dynamical matrix using the force constants derived from the second-generation reactive empirical bond order potential by Brenner and co-workers. Our results are comparable to inelastic X-ray scattering as well as first principle calculations. At Γ point, for graphene, the optical modes (degenerate) lie near 1685 cm^???1. The frequency regimes are easily distinguishable. The low-frequency (ω→ 0) modes are derived from acoustic branches of the sheet. The radial modes can be identified with ω→ 584 cm^???1. High-frequency regime is above 1200 cm^???1 (i.e. ZO mode) and consists of TO and LO modes. The phonons in a nanotube can be derived from zone folding method using phonons of a single layer of the hexagonal sheet. The present work aims to explore the agreement between theory and experiment. A better knowledge of the phonon dispersion of graphene is highly desirable to model and understand the properties of carbon nanotubes. The development and production of carbon nanotubes (CNTs) for possible applications need reliable and quick analytical characterization. Our results may serve as an accurate tool for the spectroscopic determination of the tube radii and chiralities.     

Optical and intervalley scattering in quantized inversion layers in semiconductors

The momentum relaxation time for scattering of electrons in quantized levels of an inversion layer on a semiconductor surface is calculated for interactions via optical and intervalley phonons. A selection rule is found which prohibits transitions between subbands belonging to the same valley or set of valleys, at least in the zero order to which these scattering processes may occur. Relaxation times for the zero-order interaction and the first-order interaction are obtained for intervalley phonons. The results are applied to the case of a (100)-silicon surface, with electrons in the three lowest subbands (with energy levels E₀, E₁, E'₀) of the two sets of valleys. Agreement with the experimental data of Fang and Fowler is good when the combined effects of intervalley and acoustic scattering are considered.     

Comparison of influence of incorporated 3d-, 4d- and 4f-metal chlorides on electronic properties of single-walled carbon nanotubes

In the present work, the channels of single-walled carbon nanotubes were filled with melts of ZnCl₂, CdCl₂, and TbCl₃ by a capillary method with subsequent slow cooling. The detailed study of electronic structure of filled nanotubes was performed using Raman, optical absorption, and X-ray photoelectron spectroscopy. The obtained data are in mutual agreement and it proves that the filling of carbon nanotube channels with all these salts leads to the charge transfer from nanotube walls to the incorporated compounds, thus acceptor doping of nanotubes takes place. It was found out that encapsulated terbium chloride has the largest influence on the electronic properties of carbon nanotubes.     

Theoretical study of armchair single-walled carbon nanotubes in the presence of a strong laser field: high harmonic generation

The nonlinear optical response of armchair single-walled carbon nanotubes under high-intensity laser irradiation is investigated theoretically and numerically because the generation of high harmonics requires a strong laser field and come from the nonlinear motion of π electrons in carbon nanotubes. A nonperturbative approach is performed to investigate the effect of group velocity on the high harmonics spectrum by nanotubes. A set of the quantum kinetic equations is derived, which includes coupled equations for the density matrix. By solving the density matrix and the current density equations numerically, we have studied the high-order harmonic generation from metallic carbon nanotubes driven by an electromagnetic external field.