Related papers: Efficient simulations with electronic open boundar…
Bilayer graphene is a nanomaterial that allows for well-defined, separated quantum states to be defined by electrostatic gating and, therefore, provides an attractive platform to construct tunable quantum dots. When a magnetic field…
Since its first isolation in 2004, graphene has been found to host a plethora of unusual electronic transport phenomena, making it a fascinating system for fundamental studies in condensed-matter physics as well as offering tremendous…
Motivated by recent experiments of successfully carving out stable carbon atomic chains from graphene, we investigate a device structure of a carbon chain connecting two zigzag graphene nanoribbons with highly tunable spin-dependent…
The accurate electromagnetic modeling of both low- and high-frequency physics is crucial in the signal and power integrity analysis of electrical interconnects. The boundary element method (BEM) is appealing for lossy conductor modeling…
Electrostatic confinement of charge carriers in bilayer graphene provides a unique platform for carbon-based spin, charge or exchange qubits. By exploiting the possibility to induce a band gap with electrostatic gating, we form a versatile…
We theoretically analyze the possibility to confine electrons in single-layer graphene with the help of metallic gates, via the evaluation of the density of states of such a gate-defined quantum dot in the presence of a ring-shaped metallic…
Quantum-mechanical calculations of electron magneto-transport in ideal graphene nanoribbons are presented. In noninteracting theory, it is predicted that an ideal ribbon that is attached to wide leads should reveal Fabry-Perot conductance…
We present Fermi's golden rule calculations of the optical carrier injection and the coherent control of current injection in graphene nanoribbons with zigzag geometry, using an envelope function approach. This system possesses strongly…
Graphene provides a fascinating testbed for new physics and exciting opportunities for future applications based on quantum phenomena. To understand the coherent flow of electrons through a graphene device, we employ a nanoscale probe that…
The ability to detect and distinguish quantum interference signatures is important for both fundamental research and for the realization of devices including electron resonators, interferometers and interference-based spin filters.…
Graphene nanoribbons with perfect edges are predicted to exhibit interesting electronic and spintronic properties, notably quantum-confined bandgaps and magnetic edge states. However, graphene nanoribbons produced by lithography have, to…
Non-equilibrium electrochemistry raises new challenges for atomistic simulation: we need to perform molecular dynamics for the nuclear degrees of freedom with an explicit description of the electrons, which in turn must be free to enter and…
Graphene, the atomically-thin honeycomb carbon lattice, is a highly conducting 2D material whose exposed electronic structure offers an ideal platform for sensing. Its biocompatible, flexible, and chemically inert nature associated to the…
A geometry-independent effective model for the contact self-energies is proposed to calculate the quantum conductance of patterned graphene devices using Green's functions. A Corbino disk, being the simplest device where the contacts can…
We present an atomic-resolution observation and analysis of graphene constrictions and ribbons with sub-nanometer width. Graphene membranes are studied by imaging side spherical aberration-corrected transmission electron microscopy at 80…
In graphene nanoribbon junctions, the nearly perfect transmission occurs in some junctions while the zero conductance dips due to anti-resonance appear in others. We have classified the appearance of zero conductance dips for all…
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…
The success of all-graphene electronics is severely hindered by the challenging realization and subsequent integration of semiconducting channels and metallic contacts. Here, we comprehensively investigate the electronic transport across…
We present a first-principles study of a coherent relationship between the optimized geometry and conductance of a three-aluminum-atom wire during its elongation process. Our simulation employs the most definite model including…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…