Related papers: Strongly correlated electron physics in nanotube-e…
Here we address a theoretical study on the behaviour of electronic states of heterojunctions and quantum dots based on carbon nanotubes under magnetic fields. Emphasis is put on the analysis of the local density of states, the conductance,…
Achieving high charge carrier mobility is the holy grail of organic electronics. In this letter we report a record charge carrier mobility of 14.93 cm$^2$ V$^{-1}$s$^{-1}$ through a coronene stack encapsulated in a single walled carbon…
The thermal and magnetic properties of spin-1 magnetic chain compounds with large single-ion and in-plane anisotropies are investigated via the integrable su(3) model in terms of the quantum transfer matrix method and the recently developed…
In many composites the electrical transport takes place only by tunneling between isolated particles. For a long time it was quite a puzzle how, in spite of the incompatibility of tunneling and percolation networks, these composites conform…
The orbital and spin magnetic properties of iron inside transforming metallic and semiconducting 1D carbon nanotube hybrids are studied by means of local x-ray magnetic circular dichroism (XMCD) and bulk superconducting quantum interference…
Mechanical deformations, either spontaneously occurring during sample preparation or purposely induced in their nanoscale manipulation, drastically affect the electronic and optical properties of transition metal dichalcogenide monolayers.…
Carbon nanotubes are one-dimensional and very narrow. These obvious facts imply that under doping with boron and nitrogen, microscopic doping inhomogeneity is much more important than for bulk semiconductors. We consider the possibility of…
The entanglement of two atoms (ions) doped into a carbon nanotube has been investigated theoretically. Based on the photon Green function formalism for quantizing electromagnetic field in the presence of carbon nanotubes, small-diameter…
We investigate charge transport in pentacene-graphene nanojunctions employing density functional theory (DFT) electronic structure calculations and the Landauer transport formalism. The results show that the unique electronic properties of…
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 provide a fairly complete discussion of electronic properties of nanochains modelling the simplest quantum nanowires, within the recently proposed approach combining Exact Diagonalization in the Fock space with an Ab Initio calculations…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
Towards a novel magnetoresistance (MR) device with a carbon nanotube, we propose ``nonmagnetic metal/zigzag nanotube encapsulating magnetic atoms/nonmagnetic metal'' junctions. We theoretically investigate how spin-polarized edges of the…
First-principles calculations show that monatomic strings of carbon have high cohesive energy and axial strength, and exhibit stability even at high temperatures. Due to their flexibility and reactivity, carbon chains are suitable for…
We address the quality of electrical contact between carbon nanotubes and metallic electrodes by performing first-principles calculations for the electron transmission through ideal 2- and 3-terminal junctions, thus revealing the physical…
Straintronic devices made of carbon-based materials have been pushed up due to the graphene high mechanical flexibility and the possibility of interesting changes in transport properties. Properly designed strained systems have been…
Besides active, functional molecular building blocks such as diodes or switches, passive components as, e.g., molecular wires, are required to realize molecular-scale electronics. Incorporating metal centers in the molecular backbone…
We have measured systematic repetitions of avoided crossings in low temperature three-terminal transport through a carbon nanotube with encapsulated C60 molecules. We show that this is a general effect of the hybridization of a host quantum…
Single-walled carbon nanotubes are strongly correlated systems with large Coulomb repulsion between two electrons occupying the same $p_z$ orbital. Within a molecular Hamiltonian appropriate for correlated $\pi$-electron systems, we show…
We report on a numerical study of quantum diffusion over micron lengths in defect-free multi-walled nanotubes. The intershell coupling allows the electron spreading over several shells, and when their periodicities along the nanotube axis…