Related papers: Biexciton stability in carbon nanotubes
Order(N) Tight-Binding Molecular Dynamics (TBMD) simulations are performed to investigate the thermal stability of (10,10) metallic Single-Walled Carbon Nanotubes (SWCNT). Periodic boundary conditions (PBC) are applied in axial direction.…
We present a simple analytic scheme for calculating the binding energy of excitons in semiconductors that takes full account of the existing anisotropy in the effective mass, as a complement to the qualitative treatment in most textbooks.…
Electron-electron interactions and excitons in carbon nanotubes are locally measured by combining Scanning tunneling spectroscopy and optical absorption in bundles of nanotubes. The largest gap deduced from measurements at the top of the…
Based on the tight binding method with hopping integral between the nearest-neighbor atoms, an oscillator strength $\int_0^{\infty} \d \omega {\rm Re} \sigma (\omega)$ is discussed for armchair and metallic zigzag carbon nanotubes. The…
We study lithium systems over a range of number of atoms, e.g., atomic anion, dimer, metallic cluster, and body-centered cubic crystal by the diffusion Monte Carlo method. The calculations include both core and valence electrons in order to…
We evidence the importance of electron charging under nonequilibrium conditions for carbon-nanotube-based molecular bridges, using a self-consistent Green's function method with an extended Huckel Hamiltonian and a three-dimensional Poisson…
The dependence of the energy of interwall interaction in double-walled carbon nanotubes (DWNT) on the relative position of walls has been calculated using the density functional method. This dependence is used to evaluate forces that are…
The use of ultrafast gating techniques allows us to resolve both spectrally and temporally the emission from short-lived neutral and negatively charged biexcitons in ultrasmall (sub-10 nm) CdSe nanocrystals (nanocrystal quantum dots).…
A study based on ab initio calculations is presented on the estructural, elastic, and vibrational properties of single-wall carbon nanotubes with different radii and chiralities. We use SIESTA, an implementation of…
Interwall interaction energies, as well as barriers to relative sliding of the walls along the nanotube axis, are first calculated for pairs of both armchair or both zigzag adjacent walls of carbon nanotubes with a wide range of radiuses.…
We have studied molecular hydrogen in a pure 1D geometry and inside a narrow carbon nanotube by means of the diffusion Monte Carlo method. The one-dimensionality of H2 in the nanotube is well maintained in a large density range, this system…
A survey of atomic binding energies used by general purpose Monte Carlo systems is reported. Various compilations of these parameters have been evaluated; their accuracy is estimated with respect to experimental data. Their effects on…
Using single-nanotube absorption microscopy, we measured the absorption cross section of (6,5) carbon nanotubes at their second-order optical transition. We obtained a value of 3.2 10-17 cm2/C atom with a precision of 15% and an accuracy…
Strain rate and temperature dependence of the tensile strength of single-walled carbon nanotubes has been investigated with molecular dynamics simulations. The tensile failure or yield strain is found to be strongly dependent on the…
The coherent interaction between quantum light and material excitations in semiconductor nanostructures is investigated using a fully quantized microscopic approach that incorporates many-body Coulomb correlations. The simulations…
The stabilization of carbon nanotubes via the filling with inner tubes is demonstrated by probing the optical transitions in double-walled carbon nanotube bundles under hydrostatic pressure with optical spectroscopy. Double-walled carbon…
We present a tight binding theory to analyze the motion of electrons between carbon nanotubes bundled into a carbon nanotube rope. The theory is developed starting from a description of the propagating Bloch waves on ideal tubes, and the…
A nanoelectromechanical weak link composed of a carbon nanotube suspended between two normal electrodes in a gap between two superconducting leads is considered. The nanotube is treated as a movable single-level quantum dot in which the…
Analytic expressions for strains in carbon nanotubes of all chiralities in lateral and axial directions have been obtained. These expressions have been related to bond angle and bond length flexibilities. This finally results in obtaining…
The temperature dependences of the lifetimes of polycubanes C4+4nH8 with n = 2 - 5 up to their decomposition have been directly calculated using the molecular dynamics method. It has been shown that the activation energy of decomposition of…