相关论文: Modelling spin qubits in carbon peapods

Spin-hosting graphene nanostructures are promising metal-free systems for elementary quantum spintronic devices. Conventionally, spins are protected from quenching by electronic bandgaps, which also hinder electronic access to their quantum…

We describe an approach to electrically control the strong interaction between a single electron spin and the vibrational motion of a suspended carbon nanotube resonator. The strength of the deflection-induced spin-phonon coupling is…

The changes of dynamical behaviour of a single fullerene molecule inside an armchair carbon nanotube caused by the structural Peierls transition in the nanotube are considered. The structures of the smallest C20 and Fe@C20 fullerenes are…

We demonstrate theoretically that it is possible to manipulate electron or hole spins all optically in semiconducting carbon nanotubes. The scheme that we propose is based on the spin-orbit interaction that was recently measured…

We study the two-terminal transport properties of a metallic single-walled carbon nanotube with good contacts to electrodes, which have recently been shown [W. Liang et al, Nature 441, 665-669 (2001)] to conduct ballistically with weak…

The interaction between electronic and nuclear spins in the presence of external magnetic fields can be described by a spin Hamiltonian, with parameters obtained from first principles, electronic structure calculations. We describe an…

The electron spin g- and hyperfine tensors of the endohedral metallofullerene Sc@C82 are anisotropic. Using electron spin resonance (ESR) and density functional theory (DFT), we can relate their principal axes to the coordinate frame of the…

Theoretical study of mutual orientation of fullerene $C_{60}$ molecule atom spins is presented in this work. Spin-spin interaction was described by Habbard's model. Existence of antiferromagnetic sturcture of spin sub-system in ground state…

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…

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…

Spin qubits defined in carbon nanotube quantum dots are of considerable interest for encoding and manipulating quantum information because of the long electron spin coherence times expected. However, before carbon nanotubes can find…

We report the filling of single walled carbon nanotubes with an electron spin-active fullerene species where a nitroxide radical is functionalized on the fullerene cage. High resolution transmission electron microscopy (HRTEM), optical…

We present a general formulation of spin-dependent transport through a clean one-dimensional interacting quantum wire or carbon nanotube, connected to non-collinear ferromagnets via tunnel junctions. We show that the low energy description…

For most chiralities, semiconducting nanotubes display topologically protected end states of multiple degeneracies. We demonstrate using density matrix renormalization group based quantum chemistry tools that the presence of Coulomb…

Density functional theory (DFT) including van der Waals weak interaction in conjunction with the so called rotational invariant DFT+U, where $U$ is the Hubbard interaction of the iron site, is used to show that the fluorinated spin…

A theoretical description of ESR in 1D interacting metals is given, with primary emphasis on carbon nanotubes. The spin-orbit coupling is derived, and the resulting ESR spectrum is analyzed by field theory and exact diagonalization. Drastic…

Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…

The spin filter capability of a (0,8) armchair graphene nanoribbon with Fe atoms at substitutional sites is investigated by density functional theory in combination with the non-equilibrium Greens function technique. For specific…

We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects…

We review recent theoretical developments about the role of spins, electron-electron interactions, and spin-orbit coupling in metal nanoparticles and semiconductor quantum dots. For a closed system, in the absence of spin-orbit coupling or…