相关论文: Dynamical stability and low-temperature lattice sp…

We present a phenomenological force-constant model developed for the description of lattice dynamics of sp2 hybridized carbon networks. Within this model approach, we introduce a new set of parameters to calculate the phonon dispersion of…

The lattice specific heat of carbon nanotubes is evaluated within the microscopic model proposed by Mahan and Jeon, published in the Physical Review B, in 2004. Phonons are considered for a single wall carbon nanotube in the armchair…

We reveal that the periodic radius modulation peculiar to one-dimensional (1D) peanut-shaped fullerene (C$_{60}$) polymers exerts a strong influence on their low-frequency phonon states and their interactions with mobile electrons. The…

Three typical one-dimensional (1D)/quasi-1D nanocarbons, linear carbon chains, carbon nanotubes, and graphene nanoribbons have been proven to grow inside single-wall carbon nanotubes. This gives rise to three types of hybrid materials whose…

We examine the temperature dependence of thermal conductivity of one dimensional nonlinear (anharmonic) lattices with and without on-site potential. It is found from computer simulation that the heat conductivity depends on temperature via…

Metallenes are atomically thin two-dimensional (2D) materials lacking a layered structure in the bulk form. They can be stabilized by nanoscale constrictions like pores in 2D covalent templates, but the isotropic metallic bonding makes…

Despite recent successes in the synthesis of boron nanotubes (BNTs), the atomic arrangement of their walls has not yet been determined and many questions about their basic properties do remain. Here, we unveil the dynamical stability of…

Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…

The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…

We develop a continuous theory of low-frequency dynamics for single-walled carbon nanotubes (SWCNTs) weakly interacting with the environment. In the frame of the approach proposed we obtain temperature dependence of SWCNTs specific heat in…

In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends…

We have studied the phonon specific heat in single-layer, bilayer and twisted bilayer graphene. The calculations were performed using the Born-von Karman model of lattice dynamics for intralayer atomic interactions and spherically symmetric…

A complex approach phonon quantum discrete model (PQDM) was developed to describe dynamics, kinetics and statistics of phonons in carbon nanostructures with zero-chirality of both zig-zag and armchair geometry. The model allows include into…

Carbon atomic chain, linear benzene polymers, and carbon nanothreads are all one-dimensional (1D) ultrathin carbon structures. They possess excellent electronic and mechanical properties; however, their thermal transport properties have…

We theoretically estimate the electron-phonon coupling constant lambda for metallic single-walled carbon nanotubes with a diameter of 1.4 nm. The partial electron-phonon coupling constant for the hardest phonon mode is estimated to be about…

Lattice dynamics for five ordered PMN supercells were calculated from first principles by the frozen phonon method. Maximal symmetries of all supercells are reduced by structural instabilities. Lattice modes corresponding to these…

The new regime of low-temperature heat transfer in suspended nanowires is predicted. It takes place when (i) only ``acoustic'' phonon modes of the wire are thermally populated and (ii) phonons are subject to the effective elastic…

We present analytical model and molecular dynamics simulations of phonon heat transport in nanowires and nanoribbons with anharmonic lattices and dynamically rough surfaces and edges. In agreement with recent experiments on heat transport…

The electronic spectra of carbon nanotubes and other nanoscale systems are quantized because of their small radii. Similar quantization in the phonon spectra has been difficult to observe because of the far smaller energy scale. We probed…

At low temperature the photoluminescence of single-wall carbon nanotubes show a large variety of spectral profiles ranging from ultra narrow lines in suspended nanotubes to broad and asymmetrical line-shapes that puzzle the current…