相关论文: Vibrational effects in laser driven molecular wire…
Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is…
Molecular electronics is a rapidly developing field focused on using molecules as the structural basis for electronic components. It is common in such devices for the system of interest to couple simultaneously to multiple environments.…
We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to…
An effective Hamiltonian technique is used to investigate the effect of applying curled electric fields on physical properties of stress-free BiFeO3 dots being under open-circuit electrical boundary conditions. It is discovered that such…
The effect of vibrational motion on resonant charge transport through single molecule junctions is investigated. The study is based on a combination of first-principles electronic structure calculations to characterize the system and…
A study of the coupling between lattice ion vibrations and electron waves in a piezoelectric semiconductor quantum plasma is presented. The nonlinearities have been analyzed, and solitons have been studied. The theory is built using the…
We investigate electron transport through a mixed-valence molecular complex in which an excess electron can tunnel between hetero-valent transition metal ions, each having a fixed localized spin. We show that in this class of molecules the…
We characterize both entanglement and quantum coherence in a molecular system by connecting the linear entropy of electronic-nuclear entanglement with Wigner-Yanase skew information measuring vibronic coherence and local quantum uncertainty…
A simple formula is obtained for coupling electrons in a complex system to the electromagnetic field. It includes the effect of intra-atomic excitations and nuclear motion, and can be applied in. e.g., first-principles-based simulations of…
The response of conduction band electrons to a local, pulse-like external excitation is investigated. The charge density wave packets that emerge as a consequence of the excitation leave the interaction region with a speed close to the…
We investigate a one-dimensional electron liquid with two point scatterers of different strength. In the presence of electron interactions, the nonlinear conductance is shown to depend on the current direction. The resulting asymmetry of…
When polarized electrons traverse a region where the laser light is focused their polarization varies even if their energy and direction of motion are not changed. This effect is due to interference of the incoming electron wave and an…
We derive a master equation for the electron transport through molecular wires in the limit of strong Coulomb repulsion. This approach is applied to two typical situations: First, we study transport through an open conduction channel for…
We investigate the dynamics of a charged particle interacting with a multimode quantized electromagnetic field and obtain an analytic solution for the full electron--field system. This framework enables the calculation of position…
A model based on the strong-field and Born-Oppenheimer approximations qualitatively describes the distribution over vibrational states formed in a diatomic molecular ion following ionization of the neutral molecule by intense laser pulses.…
We investigate on the same footing the time-dependent electronic transport properties and vibrational dynamics of a molecular junction. We show that fluctuations of both the molecular vibron displacement and the electronic current across…
We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…
In this work we present a set of virial relations for many electron systems coupled to field modes, described by the Pauli--Fierz Hamiltonian in dipole approximation and using length gauge. Currently, there is growing interest in solutions…
A powerful method of manipulating the dynamics of quantum coherent particles is to control the phase of their tunneling. We consider a system of two electrons hopping on a quasi one-dimensional lattice in the presence of a uniform magnetic…
We study theoretically the electron transport in a 1D conductor adiabatically connected to a superconducting and normal metal leads. In the case of non-interacting we show that ac voltage applied along with dc voltage modifies I-V curve…