Related papers: Negative differential resistance in molecular junc…
Graphene nanoribbons (GNRs) produced by means of bottom-up chemical self-assembly are considered promising candidates for the next-generation nanoelectronic devices. We address the electronic transport properties of angled two-terminal GNR…
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiates from conventional methods in that the contact self-energy…
The negative differential resistance (NDR) tunnel diodes are promising alternative devices for beyond-CMOS computing as they offer several potential applications when integrated with transistors. We propose a novel semiconductor-free NDR…
A current constrained approach is proposed to calculate negative differential conductance in molecular nano-junctions. A four-site junction is considered where a steady-state current is forced by inserting only the two central sites within…
The intrinsic transport properties of zigzag graphene nanoribbons (ZGNRs) are investigated using first principles calculations. It is found that although all ZGNRs have similar metallic band structure, they show distinctly different…
The recent observation [R. V. Gorbachev et al., Science {\bf 346}, 448 (2014)] of nonlocal resistance $R_\mathrm{NL}$ near the Dirac point (DP) of multiterminal graphene on aligned hexagonal boron nitride (G/hBN) has been interpreted as the…
The negative differential resistance (NDR) response of Nb/NbOx/Pt cross-point devices is shown to have a polarity dependence due to the effect of the metal/oxide Schottky barriers on the contact resistance. Three distinct responses are…
We present a theoretical study of the transport properties of magnetic point contacts under bias. Our calculations are based on the Keldish's non-equilibrium Green's function formalism combined with a self-consistent empirical tight-binding…
Based on the nearest-neighbor tight-binding model, we present analytical description of low-energy electron transport through a symmetrical junction of two semimetal armchair ribbons. The results obtained demonstrate the transmission…
Electron tunneling through a coupled quantum-dot dimer under a dc-bias is investigated. We find that a peak in the $I$-$V$ curve appears at low temperature when two discrete electronic states in the two quantum dots are aligned with each…
The unique ultra-relativistic, massless, nature of electron states in two-dimensional extended graphene sheets, brought about by the honeycomb lattice arrangement of carbon atoms in two-dimensions, provides ingress to explorations of…
There is an increasing amount of literature concerning electronic properties of graphene close to the neutrality point. Many experiments continue using the two-probe geometry or invasive contacts or do not control samples' macroscopic…
In a bridge configuration, a single graphene nanoribbon (GNR) is positioned with a picometer precision over a trench in between two monoatomic steps on an Au(111) surface. This GNR molecular wire adopts a deformed conformation towards the…
Motivated by the recent experimental observation [D. A. Abanin et al., Science 323, 328 (2011)] of nonlocality in magnetotransport near the Dirac point in six-terminal graphene Hall bars, for a wide range of temperatures and magnetic…
Even weak van der Waals (vdW) adhesion between two-dimensional solids may perturb their various materials properties owing to their low dimensionality. Although the electronic structure of graphene has been predicted to be modified by 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 report a first principles formalism and its numerical implementation for treating quantum transport properties of nanoelectronic devices with atomistic disorder. We developed a nonequilibrium vertex correction (NVC) theory to handle the…
We present an ab-initio analysis of the impact of edge shape and graphene-molecule anchor coupling on the electronic and transport functionalities of graphene-based molecular electronics devices. We analyze how Fano-like resonances, spin…
Graphene nano-ribbons junctions based electronic devices are proposed in this Letter. Non-equilibrium Green function calculations show that nano-ribbon junctions tailored from single layer graphene with different edge shape and width can…
In this work we address the effects on the conductance of graphene nanoribbons (GNRs) at which organic molecules are side-attached on the ribbon ends. For simplicity, only armchair (AGNRs) and zigzag (ZGNRs) nanoribbons are considered and…