Related papers: Charge-state dependent vibrational relaxation in a…
Quantum transport through single molecules is essentially affected by molecular vibrations. We investigate the behavior of the prototype single-level model with intermediate electron-vibron coupling and arbitrary coupling to the leads. We…
We consider the coupling between an external electric field and dissociated ions embedded in anisotropic polarizable media such as block copolymers. We argue that the presence of such ions can induce strong morphological changes and even…
An $\it{ab \,\, initio}$ based fully microscopic many-body approach is used to study the carrier relaxation dynamics in monolayer transition-metal dichalcogenides. Bandstructures and wavefunctions as well as phonon energies and coupling…
We report on inelastic electron tunneling spectroscopy measurements carried out on single molecules incorporated into a mechanically controllable break-junction of Au and Pt electrodes at low temperature. Here we establish a correlation…
Frequency dependent current noise in ferromagnetic double junctions with Coulomb blockade is studied theoretically in the limit of sequential tunneling. Two different relaxation processes are found in the correlations between spin polarized…
Metals at the brink of electronic quantum phase transitions display high-temperature superconductivity, competing orders, and unconventional charge transport, revealing strong departures from conventional Fermi liquid behavior.…
Spin dependent single electron tunneling in a ferromagnetic double junction is investigated theoretically in the limit of incoherent sequential tunneling. The junction consists of a small nonmagnetic metallic grain with discrete energy…
We explore excitation transport within a one-dimensional chain of atoms where the atomic transition dipoles are coupled to the free radiation field. When the atoms are separated by distances smaller or comparable to the wavelength of the…
We employ the functional renormalization group to study the effects of phonon-assisted tunneling on the nonequilibrium steady-state transport through a single level molecular quantum dot coupled to electronic leads. Within the framework of…
Dynamical simulations of polaron transport in conjugated polymers in the presence of an external time-dependent electric field have been performed within a combined extended Hubbard model (EHM) and Su-Schrieffer-Heeger (SSH) model. Nearly…
We consider electronic transport through break-junctions bridged by a single molecule in the Kondo regime. We describe the system by a two-channel Anderson model. We take the tunneling matrix elements to depend on the position of the…
We describe a quantum electromechanical system(QEMS) comprising a single quantum dot harmonically bound between two electrodes and facilitating a tunneling current between them. An example of such a system is a fullerene molecule between…
We discuss the nature of charge transfer in molecular conductors upon connecting to two metallic contacts and imposing a voltage bias across them. The sign of the charge transfer (oxidation vs. reduction) depends on the position of the…
A deep understanding of the correlation between electronic and mechanical degrees of freedom is crucial to the development of quantum devices in a nanoelectromechanical system (NEMS). In this work, we first establish a fully quantum…
We present a channel-resolved interpretation of laser-driven Coulomb explosion of the HCl dimer from an ensemble of trajectories. Three dominant outcomes are identified: a minor three-body channel and two four-body channels (sequential and…
We show that as an electron transfers between closed-shell molecular fragments at large separation, the exact correlation potential of time-dependent density functional theory gradually develops a step and peak structure in the bonding…
We present a time-dependent study of electron transport through a strongly correlated quantum dot. The time-dependent current is obtained with the multiple-probe battery method, while adiabatic lattice density functional theory in the Bethe…
We investigate the effect of electronic correlations on the transmission phase of quantum coherent scatterers, considering quantum dots in the Coulomb blockade regime connected to two single-channel leads. We focus on transmission zeros and…
The charge transport properties of hybrid halide perovskites are investigated with a combination of density functional theory including van der Waals interaction and the Boltzmann theory for diffusive transport in the relaxation time…
The spin-polarized transport through two-level quantum dots weakly coupled to ferromagnetic leads is considered theoretically in the Coulomb blockade regime. It is assumed that the dot is doubly occupied, so that the current flows due to…