相关论文: First Principles Calculations of Spin-Dependent Co…

The stability of graphene nanoribbons in the presence of typical atmospheric molecules is systematically investigated by means of density functional theory. We calculate the edge formation free energy of five different edge configurations…

We provide a systematic quantitative description of spin polarization in armchair and zigzag graphene nanoribbons in a perpendicular magnetic field. We first address spinless electrons within the Hartree approximation studying the evolution…

We investigated the vibrational properties of graphene nanoribbons by means of first-principles calculations on the basis of density functional theory. We confirm that the phonon modes of graphene nanoribbons with armchair and zigzag type…

We theoretically investigate the electronic transport properties of curved graphene waveguides by employing non-equilibrium Green's function techniques. We systematically study the dependence of the confined waveguide modes on the potential…

We describe a nonlinear interaction between charge currents and spin currents which arises from the energy dependence of the conductivity. This allows nonmagnetic contacts to be used for measuring and controlling spin signals. We choose…

Atomically precise graphene nanoribbons (GNRs) have emerged as promising candidates for nanoelectronic applications due to their widely tunable energy band gaps resulting from lateral quantum confinement and edge effects. Here we report on…

Spin and angular momenta of light are important degrees of freedom in nanophotonics which control light propagation, optical forces and information encoding. Typically, optical angular momentum is generated using q-plates or spatial light…

Based on density functional theory (DFT), we have developed algorithms and a program code to investigate the electron transport characteristics for a variety of nanometer scaled devices in the presence of an external bias voltage. We…

For graphene nanoribbons with Rashba spin-orbit coupling, the peculiar magnetic response due to the presence of a magnetization and geometric confinement are analyzed within a tight-binding model. We observe a sizable transverse…

We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…

We study the transport of charge carriers through finite graphene structures. The use of numerical exact kernel polynomial and Green function techniques allows us to treat actual sized samples beyond the Dirac-cone approximation.…

Spin, anomalous, and valley Hall effects in graphene-based hybrid structures are studied theoretically within the Green function formalism and linear response theory. Two different types of hybrid systems are considered in detail: (i)…

Using the recursive Green's function method, we study the problem of electron transport in a disordered single-layer graphene sheet. The conductivity is of order $e^2/h$ and its dependence on the carrier density has a scaling form that is…

Coherent spin-dependent transport through a junction containing of Normal/Ferromagnetic/Normal bilayer graphene nanoribbon with zigzag edges is investigated by using Landauer formalism. In a more realistic set-up, the exchange field is…

We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a…

The magnetic and spin transport properties of a carbon chain between two armchair graphene nanoribbon (AGNR) electrodes were studied using tight-binding Hamiltonian, mean-field Hubbard model and Landauer-Butikker formalism. The results…

We used a complete tight-binding band structure of graphene nanoribbon to obtain, for the first time, analytical techniques for observing photon assisted transport, and dynamic localization of electrons in the graphene nanoribbons. When the…

Owing to their unprecedented electronic properties, graphene and two-dimensional (2D) crystals have brought fresh opportunities for advances in planar spintronic devices. Graphene is an ideal medium for spin transport while also being an…

Confinement of electrons in graphene to make devices has proven to be a challenging task. Electrostatic methods fail because of Klein tunneling, while etching into nanoribbons requires extreme control of edge terminations, and bottom-up…

We examine the possibility of using graphene nanoribbons (GNRs) with directly substituted chromium atoms as spintronic device. Using density functional theory, we simulate a voltage bias across a constructed GNR in a device setup, where a…