相关论文: Probing electronic excitations in molecular conduc…
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…
One of the most primitive but elusive current-voltage (I-V) responses of a superconductor is when its supercurrent grows steadily after a voltage is first applied. The present work employed a measurement system that could simultaneously…
The current-voltage characteristics (IVC) of $S-c-N$ point contacts of superconductors with a small coherence length ${{\xi}_{0}}$ reveal steps with discrete values of the differential resistance. This peculiarity is associated with a…
The dynamics of molecular electron excitation and ionisation is studied in real-time for ultra-short IR laser pulses of intensity I>10^{13} W/cm^{2}. The multi-electron molecule is modeled by a system of two active electrons moving in a…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…
We present excitation energy spectra of few-electron vertically coupled quantum dots for strong and intermediate inter-dot coupling. By applying a magnetic field, we induce ground state transitions and identify the corresponding quantum…
In this work we consider a current carrying molecular junction with both electron-phonon and electron-electron interactions taken into account. After performing Lang-Firsov transformation and considering Markov approximations in accordance…
The multilayer multiconfiguration time-dependent Hartree theory within second quantization representation of the Fock space is applied to study correlated electron transport in models of single-molecule junctions. Extending previous work,…
We study the electronic excitation spectra in solid molecular hydrogen (phase I) at ambient temperature and 5-90 GPa pressures using Quantum Monte Carlo methods and Many-Body Perturbation Theory. In this range, the system changes from a…
An approach is presented to calculate characteristic current vs voltage curves for isolated molecules without explicit description of leads. The Hamiltonian for current-carrying molecules is defined by making resort to Lagrange multipliers,…
We demonstrate that by carefully analyzing the temperature dependent characteristics of the I-V measurements for a given complex system it is possible to determine whether it is composed of a single, double or multiple quantum-dot…
For field electron emission (FE), an empirical equation for measured current I_m as a function of measured voltage V_m has the form I_m = C*(V_m)^k*exp[-B/(V_m)], where B is a constant and C and k are constants or vary weakly with V_m.…
The nonlinearities of current-voltage characteristics (IVC) of superconducting niobium point contacts for voltages of the order of the characteristic phonon frequencies are investigated. It is shown that in limiting by dirty contacts…
We numerically simulate the low-energy properties of interacting electrons in a random potential using the Hartree-Fock based exact diagonalization method. In particular, we investigate how the transport properties are influenced by the…
A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…
We carry out experiments on single-molecule junctions at low temperatures, using the mechanically controlled break junction technique. Analyzing the results received with more than ten different molecules the nature of the first peak in the…
We investigate the thermopower of single molecules weakly coupled to metallic leads. We model the molecule in terms of the relevant electronic orbitals coupled to phonons corresponding to both internal vibrations and to oscillations of the…
We present a numerical model that simulates the current-voltage (I-V) characteristics of materials that exhibit percolation conduction. The model consists of a two dimensional grid of exponentially different resistors in the presence of an…
Current-voltage characteristics of a single-electron transistor with a vibrating quantum dot were calculated assuming vibrons to be in a coherent (non-equilibrium) state. For a large amplitude of quantum dot oscillations we predict strong…
The transport properties of a octane-dithiol (ODT) molecule coupled to Au(001) leads are analyzed using density functional theory and non-equilibrium Green functions. It is shown that a symmetric molecule can turn into a diode under…