相关论文: Interplay between Structure and Electronic Propert…
The families of organic charge-transfer salts $\kappa$-(BEDT-TTF)$_2X$ and $\kappa$-(BETS)$_2X$ have proven to serve as a powerful playground for the investigation of the physics of frustrated Mott insulators. These materials have been…
We present a microscopic picture of quantum transport in quantum antidots in the quantum Hall regime taking electron interactions into account. We discuss the edge state structure, energy level evolution, charge quantization and…
Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…
A solid ionic conductor with cation conductivity in the interelectrode region is studied. Due to their large size, the anions are considered fixed and form a homogeneous neutralizing electric background. The model can be used to describe…
The charge response of charge-ordered state in the organic conductor alpha-(BEDT-TTF)2I3 is characterized by dc resistivity, dielectric and optical spectroscopy in different crystallographic directions within the two-dimensional conduction…
In the high-transition-temperature (high-Tc) superconductors the pseudogap phase becomes predominant when the density of doped holes is reduced1. Within this phase it has been unclear which electronic symmetries (if any) are broken, what…
Correlating the microstructure of an energy conversion device to its performance is often a complex exercise, notably in solid oxide fuel cell (SOFC) research. SOFCs combine multiple materials and interfaces that evolve in time due to high…
Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode levels, that are governed by…
We study the equilibrium, oscillatory and transport properties of a chain of charged particles which interact with each other via the Coulomb and power-like repulsive interactions. Exact, analytical expressions for the energy of the ground…
This Topical Review provides an overview of the dielectric properties of a variety of organic charge-transfer salts, based on both, data reported in literature and our own experimental results. Moreover, we discuss in detail the different…
We determine the ground state energy of atoms and quantum dots whose number N of electrons is large. We show that the dominant terms of the energy are those given by a semiclassical Hartree-Fock theory. Correlation effects appear at the…
Charge order affects most of the electronic properties but is believed not to alter the spin arrangement since the magnetic susceptibility remains unchanged. We present electron-spin-resonance experiments on quasi-one-dimensional (TMTTF)2X…
A model of strongly disordered lattice system with long-range Coulomb interactions between localized charge carriers has been considered. The total electronic energy is characterized by the presence of multiple metastable minima (including…
A Hartree-Fock and Hartree-Fock-Bogoliubov study of a few body system of spatially separated charge carriers was carried out. Using these variational states, we compute an approximation to the correlation energy of a finite system of…
Accurate modeling of conical intersections is crucial in nonadiabatic molecular dynamics, as these features govern processes such as radiationless transitions and photochemical reactions. Conventional electronic structure methods, including…
The spontaneous organization of particles at the boundary between two fluids is a common occurrence. Scientists have extensively investigated various internal and external factors to manipulate and guide these self-assembly processes. This…
Within the simplest model of metals, namely a gas of electrons with Coulomb interactions, in the presence of a uniform background of positive charge to enforce electric neutrality of the system, we have derived a mechanism, by which the…
The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…
Two- and three-dimensional electron gases with a uniform neutralizing background are studied at negative compressibility. Parametrized expressions for the dielectric function are used to access this strong-coupling regime, where the…
The rational design of single molecule electrical components requires a deep and predictive understanding of structure-function relationships. Here we explore the relationship between chemical substituents and the conductance of…