Related papers: Current-Voltage Curves for Molecular Junctions Com…
In the present work, the current-voltage (I-V) characteristics in a coupled long Josephson junction based on magnesium diboride are studied by establishing a system of equations of phase differences of various inter- and intra-band channels…
The recently proposed non-iterative load flow method, called the holomorphic embedding method, may encounter the precision issue, i.e. nontrivial round-off errors caused by the limit of digits used in computation when calculating the…
An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as…
For the calculation of core-excited states probed through X-ray absorption spectroscopy, the core-valence separation (CVS) scheme has become a vital tool. This approach allows to target such states with high specificity, albeit introducing…
We describe an all-electron $G_0W_0$ implementation for periodic systems with $k$-point sampling implemented in a crystalline Gaussian basis. Our full-frequency $G_0W_0$ method relies on efficient Gaussian density fitting integrals and…
In this paper we will report an experimental approach for directly determining the photogenerated current at individual junctions within the triple junction solar cell. The method is based on the measurement of different current-voltage…
We present a new theoretical approach for the simulations of X-ray photoelectron spectra of strongly correlated molecular systems that combines multireference algebraic diagrammatic construction theory (MR-ADC) [J. Chem. Phys., 2018, 149,…
The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
The Mott-Gurney equation (Child's law) has been frequently applied to measure the mobility of carrier transport layers. One of the main assumption in the Mott-Gurney theory is ignoring the diffusive currents. It was not obvious, however,…
The current-voltage characteristics through a metallic quantum dot which is well coupled to a metallic lead are measured. It is shown that the I-V curves are composed of two contributions. One is a suppression of the tunneling conductivity…
Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive…
Modern microscopy techniques are aimed at imaging an individual molecule at atomic resolution. Here we show that low-energy electrons with kinetic energies of 50-250 eV offer a possibility of overcome the problem of radiation damage, and…
In X-ray photoelectron spectroscopy (XPS), the injected hole interacts with the electronic polarization cloud induced by the hole itself, ultimately resulting in a lower binding energy. Such polarization effect can shift the core-level…
We present a general theory for the full counting statistics of multiple Andreev reflections in incoherent superconducting-normal-superconducting contacts. The theory, based on a stochastic path integral approach, is applied to a…
R-matrix calculations on electron collisions with CO are reported whose aim is to identify any higher-lying resonances above the well-reported and lowest $^2\Pi$ resonance at about 1.6~eV. Extensive tests with respect to basis sets, target…
We present a new approach how to calculate the scalar exchange-correlation potentials and the vector exchange-correlation potentials from current-carrying ground states of two-dimensional quantum dots. From these exchange-correlation…
The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…
The present study provides an extension to our recent work on the vector (V) electromagnetic single-nucleon current and associated response functions, both for unpolarized situations and in situations where the target nucleon is polarized.…
We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…