arXiv subjects

P. Koskinen

Publications and source records attributed to P. Koskinen.

9 recordsLinked to original sources

arXiv2015

Curvature in graphene nanoribbons generates temporally and spatially focused electric currents

Today graphene nanoribbons and other graphene-based nanostructures can be synthesized with atomic precision. But while investigations have concentrated on straight graphene ribbons of fixed crystal orientation, ribbons with intrinsic curvature have remained mainly unexplored. Here, we investigate electronic transport in intrinsically curved graphene nanoribbons coupled to straight leads, using two computational approaches. Stationary approach shows that while the straight leads govern the conductance gap, the presence of curvature blurs the gap and reduces on-off ratio. An advanced time-dependent approach shows that behind the façade of calm stationary transport the currents run violently: curvature triggers temporally and spatially focused electric currents, to the extent that for short durations single carbon-carbon bonds carry currents far exceeding the steady-state currents in the entire ribbons. Recognizing this focusing is pivotal for a robust design of graphene sensors and circuitries.

cond-mat.mtrl-sci↗

arXiv2012

Twisting Graphene Nanoribbons into Carbon Nanotubes

Although carbon nanotubes consist of honeycomb carbon, they have never been fabricated from graphene directly. Here, it is shown by quantum molecular-dynamics simulations and classical continuum-elasticity modeling, that graphene nanoribbons can, indeed, be transformed into carbon nanotubes by means of twisting. The chiralities of the tubes thus fabricated can be not only predicted but also externally controlled. This twisting route is an opportunity for nanofabrication, and is easily generalizable to ribbons made of other planar nanomaterials.

cond-mat.mtrl-sci↗

arXiv2008

Gold in graphene: in-plane adsorption and diffusion

We study the bonding and diffusion of Au in graphene vacancies using density-functional theory. Energetics show that Au adsorbs preferably to double vacancies, steadily in-plane with graphene. All diffusion barriers for the complex of Au in double vacancy are above 4 eV, whereas the barriers for larger vacancies are below 2 eV. Our results support the main results of a recent experiment [Gan et al., Small 4, 587 (2008)], but suggest that the observed diffusion mechanism is not thermally activated, but radiation-enhanced.

cond-mat.mtrl-sci↗

arXiv2008

Comparison of Raman spectra and vibrational density of states between graphene nanoribbons with different edges

Vibrational properties of graphene nanoribbons are examined with density functional based tight-binding method and non-resonant bond polarization theory. We show that the recently discovered reconstructed zigzag edge can be identified from the emergence of high-energy vibrational mode due to strong triple bonds at the edges. This mode is visible also in the Raman spectrum. Total vibrational density of states of the reconstructed zigzag edge is observed to resemble the vibrational density of states of armchair, rather than zigzag, graphene nanoribbon. Edge-related vibrational states increase in energy which corroborates increased ridigity of the reconstructed zigzag edge.

cond-mat.mtrl-sci↗

arXiv2005

Charge fluctuations in coupled systems: ring coupled to a wire or ring

Coupled systems in mesoscopic regime are of interest as charge fluctuation between the sub-systems will depend on electron-electron interactions and will play a dominant role in determining their thermodynamic properties. We study some simple systems like a stub or a bubble strongly coupled to a ring. We show that for strong electron-electron interaction, there are some regimes where these charge fluctuations are quenched and charge is individually conserved in the two subsystems. This feature does not depend on choice of parameters or charge distribution.

cond-mat.mes-hall↗

arXiv2003

Energy spectrum, persistent current and electron localization in quantum rings

Energy spectra of quasi-one-dimensional quantum rings with a few electrons are studied using several different theoretical methods. Discrete Hubbard models and continuum models are shown to give similar results governed by the special features of the one-dimensionality. The energy spectrum of the many-body system can be described with a rotation-vibration spectrum of a 'Wigner molecule' of 'localized' electrons, combined with the spin-state determined from an effective antiferromagnetic Heisenberg Hamiltonian. The persistent current as a function of magnetic flux through the ring shows periodic oscillations arising from the 'rigid rotation' of the electron ring. For polarized electrons the periodicity of the oscillations is always the flux quantum Phi_0. For nonpolarized electrons the periodicity depends on the strength of the effective Heisenberg coupling and changes from Φ_0 first to Phi_0/2 and eventually to Phi_0/N when the ring gets narrower.

cond-mat.mes-hall↗

arXiv2003

Quantum rings for beginners: Energy spectra and persistent currents

Theoretical approaches to one-dimensional and quasi-one-dimensional quantum rings with a few electrons are reviewed. Discrete Hubbard-type models and continuum models are shown to give similar results governed by the special features of the one-dimensionality. The energy spectrum of the many-body states can be described by a rotation-vibration spectrum of a 'Wigner molecule' of 'localized' electrons, combined with the spin-state determined from an effective antiferromagnetic Heisenberg Hamiltonian. The persistent current as a function of the magnetic flux through the ring shows periodic oscillations arising from the 'rigid rotation' of the electron ring. For polarized electrons the periodicity of the oscillations is always the flux quantum Phi_0. For nonpolarized electrons the periodicity depends on the strength of the effective Heisenberg coupling and changes from Phi_0 first to Phi_0/2 and eventually to Phi_0/N when the ring gets narrower.

cond-mat.mes-hall↗

arXiv2003

Persistent Currents in Small, Imperfect Hubbard Rings

We have done a study with small, imperfect Hubbard rings with exact diagonalization. The results for few-electron rings show, that the imperfection, whether localized or not, nearly always decrease, but can also \emph{increase} the persistent current, depending on the character of the imperfection and the on-site interaction. The calculations are generally in agreement with more specialized studies. In most cases the electron spin plays an important role.

cond-mat.mes-hall↗

arXiv2003

Fractional Periodicity of Persistent Currents: A Signature of Broken Internal Symmetry

We show from the symmetries of the many body Hamiltonian, cast into the form of the Heisenberg (spin) Hamiltonian, that the fractional periodicities of persistent currents are due to the breakdown of internal symmetry and the spin Hamiltonian holds the explanation to this transition. Numerical diagonalizations are performed to show this explicitely. Persistent currents therefore, provide an easy way to experimentally verify broken internal symmetry in electronic systems.

cond-mat.mes-hall↗