Related papers: Polyyne Electronic and Vibrational Properties unde…
Search for one dimensional (1D) van der Waals materials has become an urgent need to meet the demand as building blocks for high performance, miniaturized, lightweight device applications. Polyyne, a 1D atomic chain of carbon is the…
The vibrational properties of a series of push-pull polyynes have been studied by infrared and Raman spectroscopy. The simultaneous activation of a strong infrared and Raman mode, i.e. the collective vibration of CC bonds of the sp carbon…
The dynamics of the one-dimensional array of the single-walled carbon nanotubes, which interact by van der Waals forces, is considered. The molecular dynamics simulation shows that both the mutual displacements of the nanotubes and the…
Long linear carbon-chains have been attracting intense interest arising from the remarkable properties predicted and their potential applications in future nanotechnology. Here we comprehensively interrogate the excitonic transitions and…
Ultra long linear carbon chains of more than 6000 carbon atoms have recently been synthesized within double-walled carbon nanotubes, and they show a promising new route to one--atom--wide semiconductors with a direct band gap. Theoretical…
We have developed a pair-potential approach for the evaluation of van der Waals interaction between carbon nanotubes in bundles. Starting from a continuum model, we show that the intertube modes range from $5 cm^{-1}$ to $60 cm^{-1}$. Using…
The atomic dynamics of linear chains embedded in a crystalline matrix or adsorbed on its surface is studied. A linear chain formed by substitutional impurities in a surface layer and at the same time offsetting from this layer was analyzed…
High pressure Raman experiments were performed on bundled double wall carbon nanotubes (DWCNTs). We observe peculiar regularity in the strength of the inner-outer tube (intratube) interaction, which is attributed to the interplay between…
A detailed investigation of the Raman response of the inner tube radial breathing modes (RBMs) in double-wall carbon nanotubes is reported. It revealed that the number of observed RBMs is two to three times larger than the number of…
Raman spectroscopy has been the most extensively employed method to study carbon nanotubes at high pressures. This review covers reversible pressure-induced changes of the lattice dynamics and structure of single- and multi-wall carbon…
Tellurium can form nanowires of helical atomic chains. Given their unique one-dimensional van der Waals structure, these nanowires are expected to show remarkably different physical and electronic properties than bulk tellurium. Here we…
The pressure response of double-wall carbon nanotubes has been investigated by means of Raman spectroscopy up to 10 GPa. The intensity of the radial breathing modes of the outer tubes decreases rapidly but remain observable up to 9 GPa,…
For sparse materials like graphitic systems and carbon nanotubes the standard density functional theory (DFT) faces significant problems because it cannot accurately describe the van der Waals interactions that are essential to the…
Using first-principles total-energy pseudopotential calculations, we have studied the properties of chains of potassium and aluminum in nanotubes. For BN tubes, there is little interaction between the metal chains and the tubes, and the…
Long linear carbon chains encapsulated inside carbon nanotubes are a very close realization of carbyne, the truly one-dimensional allotrope of carbon. Here we study individual pairs of double-walled carbon nanotubes and encapsulated linear…
Carbyne, i.e. an infinitely long linear carbon chain (LCC), has been at the focus of a lot of research for quite a while, yet its optical, electronic, and vibrational properties have only recently started to become accessible experimentally…
Recent fluorescence spectroscopy experiments on single wall carbon nanotubes reveal substantial deviations of observed absorption and emission energies from predictions of noninteracting models of the electronic structure. Nonetheless, the…
We report the existence of broad and weakly asymmetric features in the high-energy (G) Raman modes of freely suspended metallic carbon nanotubes of defined chiral index. A significant variation in peak width (from 12 cm-1 to 110 cm-1) is…
We study the interplay between long-range electron-phonon and electron-electron interactions in electrostatically doped two-dimensional semiconductors, including interlayer couplings in van der Waals heterostructures. We evaluate the…
We study the mutual interactions of simple, parallel polymers and nanotubes, and develop a scheme to include the van der Waals interactions in the framework of density functional theory (DFT) for these molecules at intermediate to…