Related papers: Modeling edge effects in Graphene Nanoribbon Field…
The scaling behaviors of graphene nanoribbon (GNR) Schottky barrier field-effect transistors (SBFETs) are studied by solving the non-equilibrium Green's function (NEGF) transport equation in an atomistic basis set self-consistently with a…
Based on the phenomenon of curvature-induced doping in graphene we propose a class of Peltier cooling devices, produced by geometrical effects, without gating. We show how a graphene nanorib- bon laid on an array of curved nano cylinders…
We present an analysis of the transient electronic and transport properties of a nanojunction in the presence of electron-electron and electron-phonon interactions. We introduce a novel numerical approach which allows for an efficient…
Recent work proposed a variant on Ramsey interferometry for coupled spin-$1/2$ systems that directly measures the retarded spin-spin Green's function. We expand on that work by investigating nonequilibrium retarded spin-spin Green's…
We employ a novel multi-configurational self-consistent Green's function approach (MCSCG) for the simulation of nanoscale Schottky-barrier field-effect transistors. This approach allows to calculate the electronic transport with a seamless…
The boundary effects affecting the Hamiltonian for the nanocone with curvatureinduced spin orbit coupling were considered and the corresponding electronic structure was calculated. These boundary effects include the spin orbit coupling, the…
The thermal conductance in graphene nanoribbon with a vacancy or silicon point defect (substitution of C by Si atom) is investigated by non-equilibrium Green's function (NEGF) formalism combined with first-principle calculations…
We obtain the output and transfer characteristics of graphene field-effect transistors by using the charge-control model for the current, based on the solution of the Boltzmann equation in the field-dependent relaxation time approximation.…
A zigzag edge of a graphene nanoribbon supports localized zero modes, ignoring interactions. Based mainly on mean field arguments and numerical approaches, it has been suggested that interactions can produce a large magnetic moment on the…
The coherent electron transport along zigzag and metallic armchair graphene nanoribbons in the presence of one or two vacancies is investigated. Having in mind atomic scale tunability of the conductance fingerprints, the primary focus is on…
Nanobem is a Matlab toolbox for the solution of Maxwell's equations for nanophotonic systems and the computation of resonance modes, sometimes also referred to as quasinormal modes or resonance states. It is based on a Galerkin scheme for…
We have studied quantum transport in Graphene Nanoribbon Tunnel Field-Effect Transistors. Unlike other studies on similar structures, we have included dissipative processes induced by inelastic electron-phonon scattering and edge roughness…
We present a theoretical framework for the calculation of charge transport through nanowire-based Schottky-barrier field-effect transistors that is conceptually simple but still captures the relevant physical mechanisms of the transport…
We report combined first-principle and tight-binding (TB) calculations to simulate the effects of chemical edge modifications on structural and electronic properties. The C-C bond lengths and bond angles near the GNR edge have considerable…
Using a combination of accurate density-functional theory and a nonequilibrium Green function's method, we calculate the ballistic thermal conductance characteristics of tensile-strained armchair (AGNR) and zigzag (ZGNR) edge graphene…
We have investigated the main scattering mechanisms affecting mobility in graphene nanoribbons using detailed atomistic simulations. We have considered carrier scattering due to acoustic and optical phonons, edge roughness, single defects,…
We study the role of non-locality of exchange in a neutral zigzag graphene nanoribbon within the $\pi$-orbital unrestricted Hartree-Fock approximation. Within this theory we find that the magnetic features are further stabilized for both…
Graphene nanoribbon quantum dot qubits have been proposed as promising candidates for quantum computing applications to overcome the spin-decoherence problems associated with typical semiconductor (e.g. GaAs) quantum dot qubits. We perform…
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…
We show how hydrogenation of graphene nanoribbons at small concentrations can open new venues towards carbon-based spintronics applications regardless of any especific edge termination or passivation of the nanoribbons. Density functional…