Strain-induced metal to semiconductor transition in ultra-small diameter single-wall carbon nanotubes

Under a large tensile strain near fracture limit, the band structures of single-wall carbon nanotubes (SWCNTs) with diameter less than 0.5 nm begin a metal to semiconductor transition and these ultra-small SWCNTs can normally maintain their metallicities. The band gap behavior of these SWCNTs intrinsically originates from the long axial direct bond lengths and the severe curvature. The gap opening comes mainly from the transfer of pπ electrons. And the localized π and σ states can result in a lower electrical conductivity. This band gap behavior suggests that it has potential to find applications in nano-electromechanical system.     

卷曲和管径对单壁碳纳米管π轨道取向的影响

由于卷曲效应,单壁碳纳米管中π轨道的取向不再和石墨一样与三个σ键垂直,也不沿管的径向,而是与径向发生一定小角度的倾斜.π轨道的取向与单壁碳纳米管的管径和曲率有密切的关系.本文从几何结构出发,计算了(n,0),(n,n)和(n,m)三种单壁碳纳米管π轨道的倾角.结果表明三种倾角是不完全相同的.     

Magnetic fullerenes inside single-wall carbon nanotubes

C(59)N magnetic fullerenes were formed inside single-wall carbon nanotubes by vacuum annealing functionalized C(59)N molecules encapsulated inside the tubes. A hindered, anisotropic rotation of C(59)N was deduced from the temperature dependence of the electron spin resonance spectra near room temperature. Shortening of the spin-lattice relaxation time T(1) of C(59)N indicates a reversible charge transfer toward the host nanotubes above approximately 350 K. Bound C(59)N-C(60) heterodimers are formed at lower temperatures when C(60) is coencapsulated with the functionalized C(59)N. In the 10-300 K range, T(1) of the heterodimer shows a relaxation dominated by the conduction electrons on the nanotubes.     

Four-point resistance of individual single-wall carbon nanotubes

We have studied the resistance of single-wall carbon nanotubes measured in a four-point configuration with noninvasive voltage electrodes. The voltage drop is detected using multiwalled carbon nanotubes while the current is injected through nanofabricated Au electrodes. The resistance at room temperature is shown to be linear with the length as expected for a classical resistor. This changes at cryogenic temperature; the four-point resistance then depends on the resistance at the Au-tube interfaces and can even become negative due to quantum-interference effects.     

单壁碳纳米管中电子的有效质量

解析研究了单壁碳纳米管中电子的有效质量，以及导带底的电子有效质量与其管径和螺旋度的关系.结果表明，单壁碳纳米管的几何结构对其电子有效质量有重要的影响.特别是锯齿形窄隙半导体管，发现其导带底的电子有效质量与管径的平方成反比. 关键词： 单壁碳纳米管 电子有效质量     

功能化单壁碳纳米管的热导率

采用基于BrennerⅡ势的非平衡态分子动力学方法,模拟研究了300K温度下经氢化学修饰的(10,0)单壁碳纳米管的热导率.研究显示功能化后碳管的热导率有明显减小,当有一列碳原子被氢化后（功能化程度为5%）,碳管的热导率减小了大约1/3,为了进一步解释这种功能化对碳纳米管热导率的影响,计算了不同功能化程度下碳纳米管的声子谱.     

非共振条件下单壁碳纳米管拉曼散射强度的计算

利用非共振情况下的键极化模型理论，对单壁碳纳米管的拉曼光谱强度进行了研究.考察了碳纳米管结构、入射光和散射光的偏振方向以及管轴的取向对散射光强度的影响.计算结果表明，光的偏振方向对拉曼散射强度影响较大，而手性对拉曼光谱的影响较小.针对碳管样品的实际情况，给出了无规取向碳管的拉曼散射光谱. 关键词： 碳纳米管 拉曼散射 声子 键极化     

Chromatographic size separation of single-wall carbon nanotubes

Received: 18 May 1998/Accepted: 22 May 1998     

功能化单壁碳纳米管的热导率

采用基于BrennerⅡ势的非平衡态分子动力学方法,模拟研究了300K温度下经氢化学修饰的(10,0)单壁碳纳米管的热导率.研究显示功能化后碳管的热导率有明显减小,当有一列碳原子被氢化后（功能化程度为5%）,碳管的热导率减小了大约1/3,为了进一步解释这种功能化对碳纳米管热导率的影响,计算了不同功能化程度下碳纳米管的声子谱.     

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.     

Electron transport in armchair single-wall carbon nanotubes

The rates of electron scattering via phonons in the armchair single-wall carbon nanotubes were calculated by using the improved scattering theory within the tight-binding approximation. Therefore, the problem connected with the discrepancy of the scattering rates calculated in the framework of the classical scattering theory and ones predicted by experimental data was clarified. Then these results were used for the solving of the kinetic Boltzmann equation to describe electron transport properties of the nanotubes. The equation was solved numerically by using both the finite difference approach and the Monte Carlo simulation procedure.     

Ultrafast carrier dynamics in single-wall carbon nanotubes

Time-resolved carrier dynamics in single-wall carbon nanotubes is investigated by means of two-color pump-probe experiments. The recombination dynamics is monitored by probing the transient photobleaching observed on the interband transitions of the semiconducting tubes. This dynamics takes place on a 1 ps time scale which is 1 order of magnitude slower than in graphite. Transient photoinduced absorption is observed for nonresonant probing and is interpreted as a global redshift of the pi-plasmon resonance. We show that the opening of the band gap in semiconducting carbon nanotubes determines the nonlinear response dynamics over the whole visible and near-infrared spectrum.     

Phonon density of states of single-wall carbon nanotubes

The vibrational density of states of single-wall carbon nanotubes (SWNT) was obtained from inelastic neutron scattering data from 0 to 225 meV. The spectrum is similar to that of graphite above 40 meV, while intratube features are clearly observed at 22 and 36 meV. An unusual energy dependence below 10 meV is assigned to contributions from intertube modes in the 2D triangular lattice of SWNT bundles, and from intertube coupling to intratube excitations. Good agreement between experiment and a calculated density of states for the SWNT lattice is found over the entire energy range.     

Intertube coupling in ropes of single-wall carbon nanotubes

We investigate the coupling between individual tubes in a rope of single-wall carbon nanotubes using four probe resistance measurements. By introducing defects through the controlled sputtering of the rope we generate a strong nonmonotonic temperature dependence of the four terminal resistance. This behavior reflects the interplay between localization in the intentionally damaged tubes and coupling to undamaged tubes in the same rope. Using a simple model we obtain the coherence length and the coupling resistance. The coupling mechanism is argued to involve direct tunneling between tubes.     

单壁碳纳米管的高压拉曼研究

采用金刚石对顶砧装置对直径分布在1.3 nm左右的单壁碳纳米管进行了高压拉曼光谱研究.实验结果表明随压力的增加碳管的截面形状发生了由圆到椭圆再到扁平的变化,这和我们之前的研究结果一致.从31 GPa卸压至常压后碳管的结构得到了较好的保持,这个压力值明显高于传统的Sp2键结构的碳材料所能稳定存在的压力范围(20 GPa以...     

Polarized raman study of single-wall semiconducting carbon nanotubes

Polarized Raman spectra were obtained from a rope of aligned semiconducting single-wall nanotubes (SWNTs) in the vicinity of the D band and the G band. Based on group theory analysis and related theoretical predictions, the G-band profile was deconvolved into four intrinsic SWNT components with the following symmetry assignments: 1549 cm(-1) [E2(E(2g))], 1567 cm(-1) [A(A(1g))+E1(E(1g))], 1590 cm(-1) [A(A(1g))+E1(E(1g))] and 1607 cm(-1) [E2(E(2g))]. The frequency shifts of the tangential G modes from the 2D graphitelike E(2g(2)) frequency are discussed in terms of the nanotube geometry.     

Nature of near-infrared absorption in single-wall carbon nanotubes

A simple one-electron theory is proposed for linear optical properties of a bundle of diameter-distributed and aligned single-wall carbon nanotubes (SWCNs), which is in excellent agreement with both the position and spectral shape of the fundamental absorption edge recently observed in SWCN thin films.     

Optical absorption of graphite and single-wall carbon nanotubes

A review of the electronic dipole transitions in graphite and single-wall carbon nanotubes is presented. Because of its singular electronic structure, the optical absorption matrix element as a function of wave vector has a node in the two-dimensional Brillouin zone of graphite, which depends linearly on the optical polarization direction. In the case of the single-wall carbon nanotubes, the dipole selection rule and the van Hove singularity in the joint density of states will give a characteristic behavior, which is observed by luminescence and resonance Raman spectroscopy. PACS 78.30.Na; 78.20.Bh; 78.66.Tr; 63.22.+m; 36.20.Kd; 36.20.Ng     

Resistance vs. pressure of single-wall carbon nanotubes

Received: 23 January 1998