Related papers: An alternate mathematical model for single-wall ca…
The tight-binding model of quantum particles on a honeycomb lattice is investigated in the presence of homogeneous magnetic field. Provided the magnetic flux per unit hexagon is rational of the elementary flux, the one-particle Hamiltonian…
We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed…
We theoretically study the interplay between electrical and mechanical properties of suspended, doubly clamped carbon nanotubes in which charging effects dominate. In this geometry, the capacitance between the nanotube and the gate(s)…
The van der Waals and Casimir interactions of a hydrogen atom (molecule) with a single-walled and a multiwalled carbon nanotubes are compared. It is shown that the macroscopic concept of graphite dielectric permittivity is already…
Fifty years ago Walter Kohn speculated that a zero-gap semiconductor might be unstable against the spontaneous generation of excitons---electron-hole pairs bound together by Coulomb attraction. The reconstructed ground state would then open…
Various properties of the energy band structures (electronic, phonon, etc.), including systematic band degeneracy, sticking and extremes, following from the full line group symmetry of the single-wall carbon nanotubes are established. The…
The structure of the coincidence symmetry group of an arbitrary $n$-dimensional lattice in the $n$-dimensional Euclidean space is considered by describing a set of generators. Particular attention is given to the coincidence isometry…
The continuous two-dimensional (2D) elastic model for single-walled carbon nanotubes (SWNTs) provided by Tu and Ou-Yang in [Phys. Rev. B \textbf{65}, 235411 (2003)] is reduced to a one-dimensional (1D) curvature elastic model strictly. This…
Semiconducting single-wall carbon nanotubes are classified into two types by means of orbital angular momentum of valley state, which is useful to study their low energy electronic properties in finite-length. The classification is given by…
Computer modeling of formation of the one-dimensional and three-dimensional monatomic nanostructures by the method of atom-atom potentials was done. The arrangement of atoms was defined on the basis of the energy minimum. Our calculations…
Rolling up of a layer with arbitrary lattice gives nanotube with very reach symmetry, described by a line group which is found for arbitrary diperiodic group of the layer and chiral vector. Helical axis and pure rotations are always…
We present {\it ab initio} calculations of the magnetic susceptibility and of the $^{13}$C chemical shift for carbon nanotubes, both isolated and in bundles. These calculations are performed using the recently proposed gauge-including…
The optical absorption spectrum of the carbon (4,2) nanotube is computed using an ab-initio many-body approach which takes into account excitonic effects. We develop a new method involving a local basis set which is symmetric with respect…
We give a homotopy classification of the global defects in ordered media, and explain it via the example of biaxial nematic liquid crystals, i.e., systems where the order parameter space is the quotient of the $3$-sphere $S^3$ by the…
Single walled carbon nanotube's cross section can be flattened under hydrostatic pressure. One example is the cross section of a single walled carbon nanotube successively deforms from the original round shape to oval shape, then to…
Constituting a part of odd electrons that are excluded from the covalent bonding, effectively unpaired electrons are posed by the singlet instability of the single-determinant broken spin-symmetry unrestricted Hartree-Fock (UBS HF) SCF…
We report a computational study, using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)], of the anharmonicity of the vibrational modes of single-walled carbon nanotubes. We find that modes with…
Using an innovative technique arising from the theory of symmetric spaces, we obtain an approximate analytic solution of the Dorokhov-Mello-Pereyra-Kumar (DMPK) equation in the insulating regime of a metallic carbon nanotube with symplectic…
In a recent computational study, we found highly structured ground states for coarse-grained polymers adsorbed to ultrathin nanowires in a certain model parameter region. Those tubelike configurations show, even at a first glance, exciting…
Natural and artificial honeycomb lattices are of great interest because the band structure of these lattices, if properly constructed, contains a Dirac point. Such lattices occur naturally in the form of graphene and carbon nanotubes. They…