相关论文: First-principles study of phenyl ethylene oligomer…
The renormalization method is applied to investigate the electron transmission properties of a circuit containing a benzene molecule, in which one of the carbon atoms has been modified so as to simulate displacement in position or…
We undertake an in-depth analysis of the magneto-transport properties in mesoscopic single-channel rings and multi-channel cylinders within a tight-binding formalism. The main focus of this review is to illustrate how the long standing…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
We present a generalized approach for computing electron conductance and I-V characteristics in multiterminal junctions from first-principles. Within the framework of Keldysh theory, electron transmission is evaluated employing an O(N)…
Recently, graphene triangulene chains have been synthesized and their magnetic response has been analyzed by STM methods by Mishra and coworkers (Nature 598, 287 (2021)). Motivated by this study, we determine the exchange bilinear and…
Two dimensional channel flow simulations of FENE-P fluid in the elasto-inertial turbulence regime reveal distinct regimes ranging from chaos to a steady travelling wave which takes the form of an arrowhead structure. This coherent structure…
The magnetization switching dynamics of biaxial single-domain homogeneous ferromagnetic particles, in which the two easy axes are perpendicular to each other, is simulated using a 4-state clock model. A zero-field mapping of the statics…
We review the description and modeling of transport phenomena among the electron systems coupled via scalar or vector photons. It consists of three parts. The first part is about scalar photons, i.e., Coulomb interactions. The second part…
We investigate multi-terminal quantum transport through single monocyclic aromatic annulene molecules, and their derivatives, using the nonequilibrium Green function approach in the self-consistent Hartree-Fock approximation. A new device…
In this work, we demonstrate the correspondence between first principle calculations and experimental measurements of size effects on thermal transport in SiGe alloys. Transient thermal grating (TTG) is used to measure the effective thermal…
We propose experimental protocols to reveal thermoelectric and thermal effects in the transport properties of ultracold fermionic atoms, using the two-terminal setup recently realized at ETH. We show in particular that, for two reservoirs…
Current-induced magnetization switching, a fundamental phenomenon related to spin-transport of electrons, enables non-voltaic and fast information write, facilitating applications in low-power memory and logic devices. However,…
Recent advances in experimental techniques allow one to create a quantum point contact between two Fermi superfluids in cold atomic gases with a tunable transmission coefficient. In this Letter we propose that three distinct behaviors of…
The high carrier mobility in graphene promises its utility in electronics applications. Azobenzene is a widely studied organic molecule for switchable optoelectronic devices that can be synthesized with a wide variety of ligands and…
New two diemensional structures nanoribbon including phosphorus and germanium atoms are introduced for the nanoelectronic applications. Under various bias voltages, the electronic transport in the systems have been studied within the…
We explore electron transport in a thin cylinder, attached to two semi-infinite one-dimensional metallic electrodes, in the presence of both longitudinal and transverse magnetic fluxes. A simple tight-binding model is used to describe the…
Current statistics of an antidot in the fractional quantum Hall regime is studied for Laughlin's series. The chiral Luttinger liquid picture of edge states with a renormalized interaction exponent $g$ is adopted. Several peculiar features…
The effect of chemical doping on the ZSiNRs with Mn as passivating element replacing H atoms at one edge are investigated by first principles calculations.The structures optimized in the typical ferromagnetic and antiferromagnetic coupling…
A method for study of charge-transfer interactions between solute molecules and solvent based on the comparison of the ratios of spectral shifts of different electronic transitions in solute molecules in chemically inert solvent is…