Related papers: Universal Vibrational Anharmonicity in Carbyne-lik…
The extraordinary one-dimensional properties of carbon nanotubes have captivated scientists and engineers since their discovery in the early 1990s. In particular, semiconducting single-wall carbon nanotubes (SWCNTs) are highly promising for…
We observe anharmonic decay of the photoexcited coherent A1g phonon in bismuth to points in the Brillouin zone where conservation of momentum and energy are satisfied for three-phonon scattering. The decay of a coherent phonon can be…
Effective low-energy Hamiltonian of interacting electrons in conducting single-wall carbon nanotubes with arbitrary chirality is derived from the microscopic lattice model. The parameters of the Hamiltonian show very weak dependence on the…
{\gamma}-graphdiyne is a 2D carbon structure beyond graphene: it is formed by sp and sp2 carbon atoms organized as hexagonal rings connected by linear links, and it is predicted to be a semiconductor. The lateral confinement of…
According to band theory, an ideal undoped (n,n) carbon nanotube is metallic. We show that the electron-electron interaction causes it to become Mott insulating with a spin gap. More interestingly, upon doping it develops superconducting…
The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…
High-resolution infrared studies of laser ablation products from carbon-selenium targets have revealed a new vibrational band at 2057 cm$^{-1}$ that is identified as the vibrational fundamental of the SeC$_3$Se cluster. Because of the rich…
Raman spectra and electrical conductance of individual, pristine, suspended, metallic single-walled carbon nanotubes are measured under applied gate potentials. The G- band is observed to downshift with small applied gate voltages, with the…
As sp carbon chains (carbynes) are relatively rigid molecular objects, can we exploit them as construction elements in nanomechanics? To answer this question, we investigate their remarkable mechanical properties by ab-initio total-energy…
The microstructure, electronic structure, and chemical bonding of chromium carbide thin films with different carbon contents have been investigated with high-resolution transmission electron microscopy, electron energy loss spectroscopy and…
We use an ab-initio approach to design and study a novel two-dimensional material - a planar array of carbon nanotubes separated by an optimal distance defined by the van der Waals interaction. We show that the energy spectrum for an array…
In the last three decades or so, we have witnessed an extraordinary progress in the research and technology of carbon-based nanomaterials. Among the peculiar highlights are the discoveries of fullerene, the carbon nanotubes and the…
The universality of $k$-dependent electron-photon and electron-phonon matrix elements is discussed for graphene nanoribbons and carbon nanotubes. An electron undergoes a change in wavevector in the direction of broken translational…
We present a comprehensive first-principles investigation of a novel carbon allotrope characterized by quasi-tetragonal atomic motifs and quasi-two-dimensional structural behavior. Structural analysis reveals an open framework composed of…
In this paper an analytical and numerical study of anharmonic vibrations of monatomic chain and graphene in transverse (perpendicular) with respect to the chain/plane direction is presented. Due to the lack of odd anharmonicities and…
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 find that the optical properties of carbon nanotubes reflect remarkably strong effects of exciton-phonon coupling. Tight-binding calculations show that a significant fraction of the spectral weight of the absorption peak is transferred…
We compare the harmonic and anharmonic properties of the vibrational modes in 3-dimensional jammed packings of frictionless spheres interacting via repulsive, finite range potentials. A crossover frequency is apparent in the density of…
The non homogeneity of the charge distribution in a carbon nanotube leads to the formation of an excitonic resonance, in a similar way to the one observed in X-ray absorption in metals. As a result, a positive anomaly at low bias appears in…
We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer…