Exciton-phonon coupling strength in single wall carbon nanotubes

The coupling strength of the exciton and different phonons, including the radial breathing mode (RBM), longitudinal (LO) and transverse (TO) optical phonons, are calculated for different diameter single wall carbon nanotubes (SWNTs) in the framework of tight-binding model. It is found that the exciton-phonon coupling strength with the LO mode or RBM shows a clear (2n+m)-family behavior due to the trigonal warping effect, but it with the TO mode remains to be zero. In the same SWNT, the E₂₂ exciton-phonon coupling strength is found to be slightly smaller than that of E₁₁ exciton. Finally, the exciton-RBM-phonon coupling strengths for several SWNTs are found to be in good agreement with the recent experimental data [Phys. Rev. Lett. 98, 037405 (2007)].     

Effect of uniaxial tensile strength on the electrical properties of doped carbon nanotubes: Density functional theory

We investigated the effect of uniaxial tensile strength on a pristine carbon nanotube, boron-doped carbon nanotube, nitrogen-doped carbon nanotube and co-doped carbon nanotube with boron and nitrogen atoms. To achieve our goal, we performed our calculations with the aid of density functional theory. We studied the changes in the electrical properties after the atomic substitution of a carbon atom by boron, nitrogen, and boron and nitrogen in pristine carbon nanotubes. We also applied uniaxial tensile strength to doped structures as well as pristine one. In addition to studying the band gap, we studied the changes in the Fermi energy, valence bands, and conduction bands. We found that defects as well as stress and strain play a crucial rule on modifying the electrical properties of carbon nanotubes.     

Generalized Fowler-Nordheim theory of field emission of carbon nanotubes

Based on the low-energy band structure of carbon nanotubes (CNs), we develop a generalized Fowler-Nordheim theory of the CN field emission, in which the behavior of the current-voltage (I-V) characteristics depends on the electric field and the diameter of the CNs. This formalism reveals the key differences of field emission between conventional bulk metallic emitters and low-dimensional emitters and gives a clear physical understanding of the non-Fowler-Nordheim feature of the I-V characteristics of the CN field emission.     

Rh在单壁碳纳米管上吸附的密度泛函理论研究

本文利用密度泛函理论研究了Rh原子在（6,6）单壁碳纳米管内外的吸附行为. 通过对Rh在单壁碳纳米管上不同吸附位的吸附构型与吸附能的研究发现: Rh吸附在管内、外的洞位最稳定, 且管外吸附比在管内强. 这是由于单壁碳纳米管的卷曲效应使得管外电荷密度比管内大造成的. 态密度分析表明, 吸附在管内外的Rh原子的5s电子均转移到了4d轨道上; Rh原子4d轨道上的电子转移到了（6, 6）碳管上, 使Rh带正电, 碳管带负电. 结合能带分析表明, Rh原子吸附在管内磁性较弱, 而吸附在管外较强. 关键词： 密度泛函理论 单壁碳纳米管 Rh原子 吸附     

Resonance frequency of chiral single-walled carbon nanotubes using Timoshenko beam theory

This Letter develops a model that analyzes the resonant frequency of the chiral single-walled carbon nanotubes (SWCNTs) subjected to a thermal vibration by using Timoshenko beam model, including the effect of rotary inertia and shear deformation. The analytical solution is derived and the frequency equation is obtained. The results based on the beam model show that the frequency increases with decreasing the nanotube aspect ratio of length to diameter. In addition, the frequency obtained by Timoshenko beam model is lower than that calculated by Euler beam model. As the nanotube aspect ratio of length to diameter decreased, the discrepancy is more obvious. Furthermore, as the effect of thermal vibration increases, the frequency for chiral SWCNTs decreases.     

Wave propagation in double walled carbon nanotubes by using doublet mechanics theory

Flexural and axial wave propagation in double walled carbon nanotubes embedded in an elastic medium and axial wave propagation in single walled carbon nanotubes are investigated. A length scale dependent theory which is called doublet mechanics is used in the analysis. Governing equations are obtained by using Hamilton principle. Doublet mechanics results are compared with classical elasticity and other size dependent continuum theories such as strain gradient theory, nonlocal theory and lattice dynamics. In addition, experimental wave frequencies of graphite are compared with the doublet mechanics theory. It is obtained that doublet mechanics gives accurate results for flexural and axial wave propagation in nanotubes. Thus, doublet mechanics can be used for the design of electro-mechanical nano-devices such as nanomotors, nanosensors and oscillators.     

碳纳米管中的群论及一系列新点群

在讨论了碳纳米管的几何结构的基础上，对齿型和椅型碳纳米管的对称性进行了分析并将这些对称元进行了抽象和总结.对齿型和椅型碳纳米管的对称元所属的群Dnh点群进行了讨论. 关键词： 点群 碳纳米管 几何结构 对称性     

Phonons in carbon nanotubes

A broad review of the unusual one-dimensional properties of phonons in carbon nanotubes is presented, including phonons in isolated nanotubes and in crystalline arrays of nanotubes in nanotube bundles. The main technique for probing the phonon spectra has been Raman spectroscopy and the many unique and unusual features of the Raman spectra of carbon nanotubes are reviewed. Also included is a brief review of the thermal properties of carbon nanotubes in relation to their unusual phonon dispersion relations and density of states.     

Dominoes in carbon nanotubes

We demonstrate by molecular dynamics simulations that the domino process can be developed in single-walled carbon nanotubes (SWCNTs). Once a section of a SWCNT with an appropriate diameter (>3.5 nm) is collapsed, the successive collapse of the neighboring portions can generate a domino wave along the longitudinal direction of the tube. The wave is driven by van der Waals potential energy and its natural speed can be up to 1 km/s. Molecules inside the SWCNT can be accelerated by the domino wave and finally shot out. The finding shows for the first time that a SWCNT can be an energy supplier, which provides opportunities for designing new concept (domino-driven) nanoelectromechanical system devices.     

Polarons in carbon nanotubes

We use ab initio total-energy calculations to predict the existence of polarons in semiconducting carbon nanotubes (CNTs). We find that the CNTs' band edge energies vary linearly and the elastic energy increases quadratically with both radial and with axial distortions, leading to the spontaneous formation of polarons. Using a continuum model parametrized by the ab initio calculations, we estimate electron and hole polaron lengths, energies, and effective masses and analyze their complex dependence on CNT geometry. Implications of polaron effects on recently observed electro- and optomechanical behavior of CNTs are discussed.     

Kinetic theory of strength and a self-organized critical state in the process of fracture of materials

The basic principles of the Zhurkov kinetic approach are analyzed in light of the modern idea of self-organization of nonlinear systems under nonequilibrium conditions. It is indicated that the final state before fracture can be described in terms of the model of a self-organized critical state.     

Interaction between methanol and single-walled carbon nanotubes: Density functional theory study

Density functional calculations have been performed to investigate the dependence of methanol interaction with the side walls of single-walled carbon nanotubes (SWCNTs) on the nanotube's type, curvature and chirality. The author's results show that methanol prefers to be physically adsorbed on semiconducting CNTs in comparison with the metallic one. It was found that the binding energy of methanol is increased for adsorption on larger-diameter nanotubes. Furthermore, we find that when a methanol molecule was adsorbed on higher chiral angle nanotubes the binding energy was increased. The study of the electronic structures and Mulliken analysis indicate that the methanol and CNT are interacting rather weakly, consistent with recent experimental observation.     

Filling carbon nanotubes

Received: 2 March 1998     

Wave propagation analysis in nonlinear curved single-walled carbon nanotubes based on nonlocal elasticity theory

Theoretical predictions are presented for wave propagation in nonlinear curved single-walled carbon nanotubes (SWCNTs). Based on the nonlocal theory of elasticity, the computational model is established, combined with the effects of geometrical nonlinearity and imperfection. In order to use the wave analysis method on this topic, a linearization method is employed. Thus, the analytical expresses of the shear frequency and flexural frequency are obtained. The effects of the geometrical nonlinearity, the initial geometrical imperfection, temperature change and magnetic field on the flexural and shear wave frequencies are investigated. Numerical results indicate that the contribution of the higher-order small scale effect on the shear deformation and the rotary inertia can lead to a reduction in the frequencies compared with results reported in the published literature. The theoretical model derived in this study should be useful for characterizing the mechanical properties of carbon nanotubes and applications of nano-devices.     

Super-slippery carbon nanotubes

The friction between the walls of multi-wall carbon nanotubes is shown to be extremely low in general, with important details related to the specific choice of the walls. This is governed by a simple expression revealing that the phenomenon is a profound consequence of the specific symmetry breaking: super-slippery sliding of the incommensurate walls is a Goldstone mode. Three universal principles of tribology, offering a recipe for lubricant selection are emphasized. Received 8 August 2001     

Kinetic theory of neutrinos

Some features of the relativistic kinetic theory of quantum systems are discussed. For a proper application to neutrinos in stellar collapse the particles' Fermi statistics must be fully taken into account. A number of transport coefficients appropriate to this context are considered. They include in particular generalizations of the well-known viscosity and heat conduction coefficients derived by Weinberg for cosmological neutrinos.     

Magnetization of carbon nanotubes

For narrow-gap carbon nanotubes, the curvature effect due to the misorientation of 2p_z orbitals dominates over electronic structures and thus magnetic properties. It significantly changes magnetization and magnetic susceptibility, and creates special structures in them. There exists a critical field direction in changing magnetism. The critical angle strongly depends on the chiral angle, the nanotube radius, and the temperature. One-dimensional carbon nanotubes are quite different from zero-dimensional carbon tori, such as in terms of special structures in magnetization, the strength of the magnetic response, and the critical angle.     

Quantum-dot transport in carbon nanotubes

Transport measurements on a bundle of single-walled carbon nanotubes have been made below 4.2 K as a function of side gate and source–drain bias voltage. The transport of an individual nanotube is described by the Coulomb blockade effect. The zero-dimensional quantum states of the nanotube become clear for measurements of large bias voltage. In addition, we present preliminary results of microwave application to the SWNT dot, and the results can be qualitatively explained by classical coupling to the dot.     

Methane mobility in carbon nanotubes

Quasi-elastic neutron scattering has been used to characterize the diffusivity of CH₄ molecules condensed in single-wall carbon nanotubes. It is shown that the two sites of adsorption, previously observed by adsorption volumetry and calorimetry measurements, correspond to a solid-like phase for the more strongly bound site at T<120 K and to a liquid-like component for the more weakly bound site at 70<T<120 K. The diffusion coefficients of the mobile molecules range between 3×10⁻⁷ to 15×10⁻⁷ cm² s⁻¹. The fraction of this viscous liquid diminishes as the temperature is decreased; the adsorbate is fully solidified at 50 K and below.