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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…
We present an atomistic self-consistent study of the electronic and transport properties of semiconducting carbon nanotube in contact with metal electrodes of different work functions, which shows simultaneous electron and hole doping…
The atomic and electronic structure of a set of pristine single wall SiC nanotubes as well as Si-substituted carbon nanotubes and a SiC sheet was studied by the LDA plane wave band structure calculations. Consecutive substitution of carbon…
In this work, we investigate the electrical conductivity of carbon nanotubes (CNTs), with a particular focus on the effects of doping. Using a first-principles approach, we study the electronic structure, phonon dispersion, and…
The work functions (WF) of single-walled carbon nanotubes and bundles are studied using first principles methods. For individual metallic tubes, the WF is independent of the chirality and increase slightly with tube diameter. For…
For the first time, an approach is suggested for the quantitative description of the electronic structure of single-walled carbon nanotubes and the prediction of active sites for the tube controlled functionalization in view of the tube…
Transition metal impurities will yield zero bias anomalies in the conductance of well contacted metallic carbon nanotubes, but Kondo temperatures and geometry dependences have not been anticipated so far. Applying the density functional…
Single-wall carbon nanotubes are almost ideal systems for the investigation of exotic many-body effects due to non-Fermi liquid behavior of interacting electrons in one dimension. Recent theoretical and experimental results are reviewed…
We calculated the effects of structural distortions on the electronic structure of carbon nanotubes. The key modification of the electronic structure brought about by bending a nanotube involves an increased mixing of $\sigma$ and…
Using first-principles plane wave calculations we predict that electronic and magnetic properties of graphene nanoribbons can be affected by defect-induced itinerant states. The band gaps of armchair nanoribbons can be modified by hydrogen…
We devise an approach to describe the electronic instabilities of doped multi-walled nanotubes, where each shell has in general a manifold of Fermi points. Our analysis relies on the scale dependence of the different scattering processes,…
We study theoretically, two doped Carbon nanotubes connected via a chemically active bond as the basic elementary gate for a recent proposal for qubit teleportation in the solid--state. We show that such a system provides the necessary…
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)…
In this work we are interested to studying the Kondo effect present in a system with a $T$-shape ligation between a single-wall carbon nanotube (SWNT) and a magnetic impurity. The system has been studied under hydrostatic pressure and it…
The low-energy electronic Hamiltonian for the thinest zigzag carbon nanotube, embedded into a dielectric host, is derived and its phase diagram is discussed. The specific multi-band structure and the microscopic form of the…
We present a first-principles study of the electronic transport properties of micrometer long semiconducting CNTs randomly covered with carbene functional groups. Whereas prior studies suggested that metallic tubes are hardly affected by…
We present {\it ab initio} and self-consistent tight-binding calculations on the band structure of single wall semiconducting carbon nanotubes with high degrees (up to 25 %) of boron substitution. Besides a lowering of the Fermi energy into…
The conduction of a single-wall carbon nanotube depends on the pitch. If there are an integral number of carbon hexagons per pitch, then the system is periodic along the tube axis and allows "holes" (, and not "electrons",) to move inside…
We theoretically explore the possibility of a superconducting proximity effect in single-walled metallic carbon nanotubes due to the presence of a superconducting substrate. An unconventional double-gap situation can arise in the two bands…
We introduce two simple models to study the effect of a spatially localized transverse electric field on the low-energy electronic structure of semiconducting carbon nanotubes. Starting from the Dirac Hamiltonian for the low energy states…