Two-dimensional commensurate soliton structures

A phase diagram of pinned soliton structures in two dimensions has been found for a repulsive interactionU(x) between solitons withU(x)>0. The critical fugacity of the commensurate soliton structure is shown to be proportional toU(l), wherel is the period of this structure.     

Metastability of commensurate and incommensurate structures in epitaxial films

Limits of stability for the range of metastable phases in two-dimensional epitaxial monolayers are calculated. The mean misfit between the monolayer and the substrate changes by addition or removal of solitons (or misfit dislocations) and metastability arises from the energy barrier for these processes. The behaviour is similar to that of a one-dimensional modulated chain of atoms with free ends.     

Symmetry,phonons and rigid-layers modes in commensurate double wall carbon nanotubes

For translationally periodic double-wall carbon nanotubes stable configurations and full symmetry groups are determined. Using this, the phonon dispersions and eigenvectors are calculated and assigned by the complete set of conserved quantum numbers. In particular, the modes corresponding to the relative coaxial motions of the rigid layers are studied in the context of low inter-wall interaction.Received: 19 June 2003, Published online: 9 September 2003PACS: 63.22.+m Phonons or vibrational states in low-dimensional structures and nanoscale materials - 61.46.+w Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals - 78.30.Na Fullerenes and related materials     

Tunable photoacoustic efficiency in infrared of gold nanotubes with gel shells

The structure parameters of core-shell nanoparticles to optimize the photoacoustic(PA) efficiency were investigated.The gold nanotube was taken as the example of such nanoparticles.We studied PA effects through numerical simulations based on the finite element method.Gold shells absorb the incident light and transfer heat into the surrounding polydimethylsiloxane(PDMS),where heat distributes exponentially.The more heat contains in the PDMS,the stronger PA signals will result.Therefore,PA signals...     

Two commensurate hydrogen-bonded monolayer structures of melamine on Ag(111)

Melamine (1,3,5-triazine-2,4,6-triamine) was deposited on the Ag(111) surface under ultrahigh vacuum conditions. It forms two different monolayer structures, which were investigated by low energy electron diffraction and scanning tunneling microscopy. The α-phase is a honeycomb structure containing two molecules per unit-cell. The molecular orientation within the unit-cell is determined by six hydrogen bonds. The α-phase is kinetically preferred upon deposition at room-temperature and can be transferred to the thermodynamically more stable β-phase by annealing at 333 K. The β-phase has an oblique unit-cell containing four molecules and shows a higher surface density with additional hydrogen bonds between adjacent amino groups. Both structures are commensurate. While the structural motif of the α-phase has been observed before on Au(111) and Ag–Si(111) surfaces, the structure of the β-phase has been so far only theoretically predicted.     

Carbon nanotubes decorated by graphitic shells encapsulated Cu nanoparticles

Carbon nanotubes (CNTs) decorated by graphitic shells encapsulated Cu nanoparticles were fabricated by low-energy hydrocarbon ion deposition with using Cu as hold substrate at 900°C. Scanning electron microscopy shows that the surface of CNTs becomes very coarse by hydrocarbon ion treatment. The investigation of transmission electron microscope shows that the full surfaces of CNTs are coated by dense graphitic shells encapsulated Cu nanoparticles. The graphitic shells consist of 7–10 layers and the size of Cu core is 1–2 nm.     

First-principles band structures of armchair nanotubes

Received: 10 February 1998     

公度双壁碳纳米管层间耦合对其场发射特性影响的研究

采用紧束缚能带理论，利用所提出的考虑卷曲效应的紧束缚能量哈密顿量，建立了公度双壁碳纳米管(DWNT)的能带结构模型；基于碳纳米管(CNT)发射电流与其能带结构的相关性，定量分析了公度DWNT的层间耦合作用对其场发射电流的影响.结果表明：在层间耦合作用下，DWNT的带结构中部分简并能级发生劈裂，同时使禁带宽度发生改变.前一个因素增加了电子发射的通道，后一个因素改变价带中参与发射的电子数量，导致在一定外电场下，DWNT与其外层的SWNT相比，场发射电流有一定程度的增加，且半导体性管发射电流增幅比金属性管大，在 关键词： 公度双壁碳纳米管 能带结构 层间耦合作用 卷曲效应     

Vibrations in cylindrical shells with transverse elastic isotropy: Application to III-V nitride nanotubes

The vibrational modes of cylindrical shells with transverse elastic isotropy and arbitrary thickness are calculated in the framework of the elasticity theory and a comparison with the isotropic approach is presented. Cylindrical shells are a good model for nanotubes and here an application for nanotubes of transversely isotropic elastic materials is given. We have obtained the expression for the frequency of the radial breathing mode and it is shown that calculated frequencies coming from that expression compare fairly well with those obtained from different ab initio, force constant model calculations and experimental results. Further, the dispersion relations depend on all the elastic coefficients and therefore they are quite different for nanotubes with hexagonal or wurtzite structure. This demonstrates the need to go beyond the isotropic model to investigate the vibrational spectrum of transversely isotropic elastic material nanotubes and nanowires.     

拉伸形变下BC3纳米管的能带结构

运用紧束缚能带理论,研究拉伸形变下BC₃纳米管的能带结构. 研究表明:随着拉伸和压缩强度的不断增加,BC₃纳米管的导带能级和价带能级逐渐靠近,最终发生能带交叠. 压缩形变下能带的交叠程度可达05 eV,而拉伸形变下只有02 eV. 对于扶手椅型BC₃纳米管,随着拉伸和压缩的不断增加,BC₃纳米管首先由直接半导体转化为间接半导体,进而发生能带的交叠,表现出金属性. 在无形变时,扶手椅型BC₃纳米 关键词： 3纳米管')" href="#">BC₃纳米管 能隙 拉伸形变 半导体     

Novel defect structures in nematic liquid crystal shells

We use double-emulsion drops to experimentally investigate the defect structures of spherical shells of nematic liquid crystals. We uncover a rich scenario of coexisting defect structures dictated by the unavoidable finite thickness of even the thinnest shell and by the thickness variation around the sphere. These structures are characterized by a varying number of disclination lines and pairs of surface point defects on the inner and outer surfaces of the nematic shell. In the limit of very thick shells the defect structure ultimately merges with that of a bulk nematic liquid crystal drop.     

Multi-walled boron nitride nanotubes composed of diverse cross-section and helix type shells

High-resolution transmission electron microscopy (HRTEM) and electron diffraction analysis were performed on pure multi-walled novel type boron nitride nanotubes (BNNTs) by using a field-emission high-resolution 300 kV transmission electron microscope JEM-3100FEF (Omega filter). In contrast to commonly observed monochiral multi-walled BNNTs, the present tubular shells within every individual BNNT (up to ～50 shells) revealed the whole range of helixes, i.e., from zig-zag to arm-chair. This being paired with the wide variations in cross-sectional tubular shapes, i.e., from a faceted polygon to a cylinder, results in complex overall tubular structures. The BN atomic lattice fringe separations, down to 1.25 Å, on most symmetrical arm-chair (d_10-10=1.25 Å) and zig-zag (d_11-20=2.15 Å) tubular wall fragments within the same multi-walled BN nanotubes were ultimately achieved during HRTEM.     

On the nature of different temperature dependences of the size of antiphase domains in commensurate long-period structures

First-principle calculations of the electronic structure and electronic susceptibility were performed to study the relation between the nesting properties of the Fermi surface and the character of the temperature dependence of long-period structures of two types exemplified by Ag₃Mg and Al₃Ti alloys. The observed temperature dependence of the long period length 2M in the Al₃Ti alloy was analyzed. It was shown that the temperature dependence of the size of the antiphase domain in long-period commensurate structures was determined by the special features of the electronic structure of the system, in particular, by the geometry of Fermi surface nesting regions.     

Effect of electrode material on impedance spectra of metal-polyethylene structures with carbon nanotubes

The effect of an electrode material on electrical properties of a composite material based on super-high-molecular polyethylene (SHMPE) filled with carbon nanotubes has been studied using impedance spectroscopy. Using the method of replacing the sample by an equivalent electric circuit, it has been found that, depending on the electrode material, a blocking barrier with high active resistance and a space charge region adjacent to it arise in the interface region. It has been shown that the barrier height is controlled by surface electronic states of SHMPE and weakly depends on the electron work function of metal electrodes (Bardeen barrier). The characteristic times of electrical relaxation characterizing bulk and interface regions of the composite under study have been determined.     

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.     

Direct measurement of the friction between and shear moduli of shells of carbon nanotubes

We report measurements of the shear modulus of each shell and the friction between the two shells of double-shell carbon nanotubes in single nanotube-based nanoelectromechanical devices operated in a transmission electron microscope. In situ nanobeam electron diffraction is applied to obtain the chiral indices of each shell of the nanotube and it allows us to establish a quantitative correlation between the atomic structure and properties of the nanotube under investigation.     

Correlation of the chemical properties of carbon nanotubes with their atomic and electronic structures

The nature of chemical bonding in carbon nanoclusters is investigated by the PM3 semiempirical quantum-chemical method. The influence of the atomic structure on the electronic characteristics and chemical properties of nanoclusters is analyzed. A σ-π model is proposed for the chemical bonding in nanotubes. It is shown that, in the framework of the proposed model, nanotubes are objects characterized by a small contribution of π states to the valence band top.