相关论文: Current rectification by simple molecular quantum …
We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…
The conditions necessary for a nanotube junction connecting a metallic and semiconducting nanotube to rectify the current are theoretically investigated. A tight binding model is used for the analysis, which includes the Hartree-Fock…
The problem of two magnetic impurities in a normal metal exposes the two opposite tendencies in the formation of a singlet ground state, driven respectively by the single-ion Kondo effect with conduction electrons to screen impurity spins…
We examine the robustness of single-molecule tunneling diodes to thermal-environmental effects. The diode comprises three fragments: two different conjugated chemical groups at the boundaries, and a saturated moiety in between, breaking…
We use the scattering states numerical renormalization group (SNRG) approach to calculate the current $I(V)$ through a single molecular level coupled to a local molecular phonon. The suppression of $I$ for asymmetric junctions with…
We compute the spin current rectification coefficient of a non-equilibrium quantum dot subject to a spin bias and an {\it ac} charge bias with small amplitude. As a function of the position of the resonant level the spin current…
Devices for nano- and molecular size electronics are currently a focus of research aimed at an efficient current rectification and switching. Current switching due to conformational changes in the molecules is slow, on the order of a few…
Electron transport through a diatomic molecular tunnel junction shows wave like interference phenomenon. By using Keldysh non-equilibrium Green's function (NEGF) theory, we have explicitly presented current and differential conductance…
We study the rectification of spin current in $XXZ$ chains segmented in two parts, each with a different anisotropy parameter. Using exact diagonalization and a matrix product states algorithm we find that a large rectification (of the…
The sinh-Gordon model on a half-line with integrable boundary conditions is considered in low order perturbation theory developed in affine Toda field theory. The quantum corrections to the classical reflection factor of the model are…
Relativistic exchange current corrections to the impulse approximation in low and intermediate energy neutrino--nucleus scattering are presented assuming non--vanishing strange quark form factors for constituent nucleons. Two--body exchange…
We develop a consistent method for calculating non-equilibrium Green's functions for a nano-sized dot coupled to electron reservoirs by tunneling. The leads are generally at different chemical potentials (non-equilibrium), and the dot may…
Density functional theory calculations of electronic transport based on local exchange and correlation functionals contain self-interaction errors. These originate from the interaction of an electron with the potential generated by itself…
The electronic spectrum of a chemically contacted molecule in the junction of a scanning tunneling microscope can be modified by tip retraction. We analyze this effect by a combination of density functional, many-body perturbation and…
It is illustrated that semiconductor quantum dots (QDs) embedded into an insulating matrix connected with metallic electrodes and some vacuum space can lead to significant thermal rectification effect. A multilevel Anderson model is used to…
We study computationally the electron transport properties of dithiocarboxylate terminated molecular junctions. Transport properties are computed self-consistently within density functional theory and nonequilibrium Green's functions…
We provide an integration of the universal, perturbative explicitly correlated [2]$_\text{R12}$-correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the underlying…
We investigated a mechanism of rectification in di-block oligomer diode molecules that have recently been synthesized and showed a pronounced asymmetry in the measured I-V spectrum. The observed rectification effect is due to the resonant…
The transport properties of serially coupled quantum dots (SCQDs) embedded in a matrix connected to metallic electrodes are theoretically studied in the linear and nonlinear regimes. The current rectification and negative differential…
Within the diagrammatic real time approach \cite{K\"onig96, Schoeller97}, the current across a quantum dot which is tunnel coupled to two leads at different chemical potentials is calculated by the use of two objects referred to as kernels.…