Related papers: Controllable spin-dependent transport in armchair …
Recently, porphyrin units have been attached to graphene nanoribbons (Por-GNR) enabling a multitude of possible structures. Here we report first principles calculations of two prototypical, experimentally feasible, Por-GNR hybrids, one of…
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…
Geometric and electronic properties of folded graphene nanoribbons (FGNRs) are investigated by first-principles calculations. These properties are mainly dominated by the competition or cooperation among stacking, curvature and edge…
The magnetic proximity effect can induce a spin dependent exchange shift in the band structure of graphene. This produces a magnetization and a spin polarization of the electron/hole carriers in this material, paving the way for its use as…
Controlling the forbidden gap of graphene nano-ribbons (GNR) is a major challenge that has to be attained if this attractive material has to be used in micro- and nano-electronics. Using an unambiguous notation {m,n}-GNR, where m (n) is the…
Using non-equilibrium Green's function formalism, we investigate nonlinear transport and charging effects of gated graphene nanoribbons (GNRs) with even number of zigzag chains. We find a negative differential resistance (NDR) over a wide…
Finite size armchair graphene nanoribbons (GNR) of different families are theoretically studied using the Hubbard model in both mean-field and GW approximations, including spin correlation effects. It is shown that correlation primarily…
We investigate the spin-resolved transport in a two-terminal zigzag graphene nanoribbon device with two independent gate induced Rashba spin-orbit coupling regions and in the presence of strain. By employing a recursive Green's function…
In recent years, bottom-up synthesis procedures have achieved significant advancements in atomically-controlled growth of several-nanometer-long graphene nanoribbons with armchair-shaped edges (AGNRs). This greatly encourages us to explore…
The electronic and magnetic properties of varying width, oxygen-functionalized armchair graphene nanoribbons (AGNRs) are investigated using first-principles density functional theory (DFT). Our study shows that O-passivation results in a…
Graphene nanoribbons (GNRs) are promising components in future nanoelectronics due to the large mobility of graphene electrons and their tunable electronic band gap in combination with recent experimental developments of on-surface…
Seven types of armchair graphyne nanoribbons are investigated with HSE06 functional. The quantum confinements in the graphyne nanoribbons open or increase the band gaps of the corresponding two-dimensional graphynes, which is crucial to…
We calculated a spin-polarized conductance in the almost unexplored nanostructure "high temperature ferromagnetic insulator/ graphene/ ferroelectric film" with a special attention to the impact of electric polarization rotation in a…
Spin-dependent coherent quantum transport through carbon nanotubes (CNT) is studied theoretically within a tight-binding model and the Green's function partitioning technique. End-contacted metal/nanotube/metal systems are modelled and next…
We study the effect of a structural nanoconstriction on the coherent transport properties of otherwise ideal zig-zag-edged infinitely long graphene ribbons. The electronic structure is calculated with the standard one-orbital tight-binding…
We performed a series of theoretical transport studies on Y-branch electron waveguides which are embedded in mid-size armchair graphene nanoribbons (AGNRs). Non-equilibrium Greens function (NEGF) with different approximations of…
Quantum-dot states in graphene nanoribbons (GNR) were calculated using density-functional theory, considering the effect of the electric field of gate electrodes. The field is parallel to the GNR plane and was generated by an inhomogeneous…
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…
We study the electron transport through a graphene nanoribbon-superconductor junction. Both zigzag and armchair edge graphene nanoribbons are considered, and the effects of the magnetic field and disorder on the transport property are…
We calculate the spin-dependent zero-bias conductance $G_{\sigma\sigma'}$ in armchair graphene nanoribbons with hydrogen adsorbates employing a DFT-based ab initio transport formalism including spin-orbit interaction. We find that the…