Related papers: Current rectification by asymmetric molecules: An …
We present a chain-of-atoms model where heat is rectified, with different fluxes from the hot to the cold baths located at the chain boundaries when the temperature bias is reversed. The chain is homogeneous except for boundary effects and…
The electronic transport through Au-(Cu$_{2}$O)$_n$-Au junctions is investigated using first-principles calculations and the nonequilibrium Green's function method. The effect of varying the thickness (i.e., $n$) is studied as well as that…
We investigate, by means of first-principles calculations, structural and transport properties of junctions made of symmetric dithiolated molecules placed between Au electrodes. As the electrodes are pulled apart, we find that it becomes…
We present a Green's function technique for studying the nonlinear conductance of a nanocontact system with two electrodes at different chemical potentials. The retarded Green's function for a single-impurity Anderson model with two…
The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated…
We study the influence of laser radiation on the electron transport through a molecular wire weakly coupled to two leads. In the absence of a generalized parity symmetry, the molecule rectifies the laser induced current, resulting in…
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…
Rectification of electron wave-packets propagating along a quasi-one dimensional chain is commonly achieved via the simultaneous action of nonlinearity and longitudinal asymmetry, both confined to a limited portion of the chain termed wave…
The conductance through a serial double dot structure for which the inter-dot tunneling is stronger than the tunneling to the leads is studied using the numerical density matrix renormalization group method and analytic arguments. When the…
We perform microscopic numerical simulations of the Josephson effect through short junctions between two full-shell hybrid nanowires, comprised of a semiconductor core fully wrapped by a thin superconductor shell, both in the trivial and…
Based on the multiple energy level Anderson model, this study theoretically examines the thermoelectric effects of semiconductor quantum dots (QDs) in the nonlinear response regime. The charge and heat currents in the sequential tunneling…
We recalculate the leading relativistic corrections for the ground electronic state of the hydrogen molecule using variational method with explicitly correlated functions which satisfy the interelectronic cusp condition. The new…
We study a one-dimensional chain of identical atoms with two electronic orbitals and two electrons per atom, subject to an external oscillating pressure that periodically modulates the lattice spacing. This leads to time-dependent intra-…
We study theoretically the transport properties of a molecular two level system with large electron-vibron coupling in the Coulomb blockade regime. We show that when the electron-vibron coupling induces polaron states, the current-voltage…
We theoretically investigate a quantum heat diode based on two interacting flux qubits coupled to two heat baths. Rectification of heat currents is achieved by asymmetrically coupling the qubits to the reservoirs modelled as dissipative…
Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…
Using the asymptotic-expansion technique, we compute the dominant two-loop electroweak corrections, of O(G_F m_t^2), to production and decay via a pair of photons or gluons of the CP-odd Higgs boson A^0 in a two-Higgs-doublet model with…
The nucleon axial charge is a central ingredient in nuclear and particle physics, and a key observable in precision tests of the electroweak Standard Model sector and beyond. We report on the first complete calculation of its electroweak…
Current-correlations are a very sensitive probe of the fluctuations of small conductors. For non-interacting particles injected from thermal sources there is a simple connection between the sign of correlations and statistics:…
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…