Related papers: Molecular double core-hole electron spectroscopy f…
We develop a method of the ab-initio calculation for the core-level x-ray photoemission spectroscopy (XPS). By calculating one-electron states in the presence of core-hole potential, excited states are constructed by distributing electrons…
Motivated by recent transport experiments and proposed atomic-scale semiconductor devices, we present measurements that extend the reach of scanned-probe methods to discern the properties of individual dopants tens of nanometers below the…
Characterization of the inner-shell decay processes in molecules containing heavy elements is key to understanding x-ray damage of molecules and materials and for medical applications with Auger-electron-emitting radionuclides. The 1s hole…
We propose an imaging technique to follow core-hole wave-packet oscillations in the nitrogen molecule. In this scheme, an attosecond x-ray pulse core-ionizes the nitrogen molecule and a subsequent attosecond x-ray pulse probes the evolution…
The electronic properties of quasi two-dimensional multicomponent systems are investigated in the presence of a perpendicular magnetic field. The effects of the presence of a few valence band holes on the properties of quantum Hall systems…
We study how the electron-hole pairing reveals itself in the response of a double layer graphene system to the vector and scalar potentials. Electron-hole pairing results in a rigid (London)relation between the current and the difference of…
X-ray photoemission (XPS) and Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy play an important role in investigating the structure and electronic structure of materials and surfaces. Ab-initio simulations provide crucial…
Correlation-function expressions are derived for the coherent nonlinear response of molecules to three resonant ultrafast pulses in the x-ray regime. The ability to create two-core-hole states with controlled attosecond timing in…
The present work discusses, from an ab-initio standpoint, the definition, the meaning, and the usefulness of effective single-particle energies (ESPEs) in doubly closed shell nuclei. We perform coupled-cluster calculations to quantify to…
We present photoluminescence studies of the molecular neutral biexciton-exciton spectra of individual vertically stacked InAs/GaAs quantum dot pairs. We tune either the hole or the electron levels of the two dots into tunneling resonances.…
Within the framework of the second-order non-relativistic quantum perturbation theory, the methods of the theory of irreducible tensor operators, and nonorthogonal orbitals, the absolute values and shape of the generalized cross-sections of…
The presence of a weak second-harmonic field in an intense-laser ionization experiment affects the momentum-resolved electron yield, depending on the relative phase between the $\omega$ and the $2\omega$ component. The proposed two-color…
We analyze the performance of two different core-hole potentials in the theoretical modeling of XAS of ice, liquid and gas phase water; the use of a full core-hole (FCH) in the calculations, as suggested by Hetenyi et al. [J. Chem. Phys.…
The orbital, spin and valley degrees of freedom in silicon quantum dots support many modes of spin qubit operation. However, it is generally challenging to obtain information about the energy level spectrum over large ranges of parameter…
Excitons -- two-particle correlated electron-hole pairs -- are the dominant low-energy optical excitation in the broad class of semiconductor materials, which range from classical silicon to perovskites, and from two-dimensional to organic…
Double and triple ionization spectra of isocyanic acid have been measured using multi-electron and ion coincidence techniques combined with synchrotron radiation and compared with high-level theoretical calculations. Vertical double…
We investigated metal-insulator transitions for double layer two-dimensional electron hole systems in transition metal dicalcogenides (TMDC) stacked on opposite sides of thin layers of boron nitride (BN). The interparticle interaction is…
An impedance spectroscopy (IS) is a versatile tool to study the effect of grains (bulk), grain boundaries and electrode-electrolyte interface on dielectric and electrical properties of electro-ceramics. This study only focuses the high…
The isotope effects in x-ray absorption spectra of liquid water are studied by a many-body approach within electron-hole excitation theory. The molecular structures of both light and heavy water are modeled by path-integral molecular…
In this paper, we address the problem of luminescence polarization in the case of nanostructures characterized by an in-plane shape asymmetry. We develop a simple semi-qualitative model revealing the mechanism that accounts for the…