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It has been known theoretically that localized states exist around zigzag edges of a graphite ribbon and of a carbon nanotube, whose energy eigenvalues are located between conduction and valence bands. We found that in metallic…
Electronic states in nanographite ribbons with zigzag edges are studied using the extended Hubbard model with nearest neighbor Coulomb interactions. The electronic states with the opposite electric charges separated along both edges are…
We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…
We study theoretically the electronic structure, transport and optical properties for a zigzag single-wall carbon nanotube connected to two normal conductor leads under the irradiation of an external electromagnetic field at low…
We report on electrical resistance measurements of an individual carbon nanotube down to a temperature T=20 mK. The conductance exhibits a ln T dependence and saturates at low temperature. A magnetic field applied perpendicular to the tube…
The breaking of symmetry is the ground on which many physical phenomena are explained. This is important in particular for bipartite lattice structure as graphene and carbon nanotubes, where particle-hole and pseudo-spin are relevant…
Carbon nanotubes are modeled as point configurations and investigated by minimizing configurational energies including two-and three-body interactions. Optimal configurations are identified with local minima and their fine geometry is fully…
Carbon nanotube junctions are predicted to exhibit negative differential resistance, with very high peak-to-valley current ratios even at room temperature. We treat both nanotube p-n junctions and undoped metal-nanotube-metal junctions,…
We address one of the main challenges to TiO2-photocatalysis, namely band gap narrowing, by combining nanostructural changes with doping. With this aim we compare TiO2's electronic properties for small 0D clusters, 1D nanorods and…
Recent experimental observations have reported that, rather than randomly distributed, nitrogen atoms may prefer to be located on one of the two sub-lattices of graphene. It has been suggested that such a preference may present a possible…
By means of pseudopotential calculations based on density functional theory (DFT) we studied the effect of hydrogenation on electronic properties of armchair single-wall carbon nanotubes. The calculations demonstrate strong preference for…
A pristine suspended carbon nanotube is a near ideal environment to host long-lived quantum states. For this reason, they have been used as the core element of qubits and to explore numerous condensed matter physics phenomena. One of the…
We study the conductance of carbon nanotube wires in the presence of disorder, in the limit of phase coherent transport. For this purpose, we have developed a simple numerical procedure to compute transmission through carbon nanotubes and…
Contrary to recent reports, we show that the electronic properties of phosphorene nanotubes are surprisingly rich and much more complex than previously assumed. We find that all phosphorene nanotubes exhibit an intricate direct-to-indirect…
The current carrying capacity of ballistic electrons in carbon nanotubes that are coupled to ideal contacts is analyzed. At small applied voltages, where electrons are injected only into crossing subbands, the differential conductance is…
We investigate the response of multi-walled carbon nanotubes to mechanical strain applied with an Atomic Force Microscope (AFM) probe. We find that in some samples, changes in the contact resistance dominate the measured resistance change.…
Magnetic flux piercing a carbon nanotube induce periodic gap oscillations which represent the Aharonov-Bohm effect at nanoscale. Here we point out, by analyzing numerically the anisotropic Hubbard model on a honeycomb lattice, that similar…
Carbon nanotubes have attracted considerable interest for their unique electronic properties. They are fascinating candidates for fundamental studies of one dimensional materials as well as for future molecular electronics applications. The…
Using the Landauer-Buttiker formalism, we calculate the effect of structural twist on electron transport in conducting carbon nanotubes. We demonstrate that even a localized region of twist scatters the propagating pi electrons and induces…
We consider a nanoelectromechanical weak link composed of a carbon nanotube suspended above a trench in a normal metal electrode and positioned in a gap between two superconducting leads. The nanotube is treated as a movable single-level…