Related papers: Measuring the intrinsic charge transfer gap using …
Extensive calculations of the atomic data required for the spectral modelling of the K-shell photoabsorption of oxygen ions have been carried out in a multi-code approach. The present level energies and wavelengths for the highly ionized…
It has been generally accepted that the threshold structure observed in the oxygen K edge X-ray absorption spectrum in 3d transition metal oxides represents the electronic structure of the 3d transition metal. There is, however, no…
Understanding the interaction of intense, femtosecond X-ray pulses with heavy atoms is crucial for gaining insights into the structure and dynamics of matter. One key aspect of nonlinear light-matter interaction was, so far, not studied…
High-resolution X-ray spectroscopy is an essential tool in X-ray astronomy, enabling detailed studies of celestial objects and their physical and chemical properties. However, comprehensive mapping of high-resolution X-ray spectra for even…
We present the first comprehensive analysis of the argon K-edge absorption region (3.1-4.2 \AA) using high-resolution HETGS {\it Chandra} spectra of 33 low-mas X-ray binaries. Utilizing R-matrix theory, we computed new K photoabsorption…
For semiconductors and semimetals possessing a narrow gap between bands with different parity, the dispersion of the dielectric function is explicitly evaluated in the infrared region. The imaginary part of the dielectric function has a…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
The bandstructure of the prototypical charge-transfer insulator NiO is computed by using a combination of an {\it ab initio} bandstructure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a…
The temperature dependence of the O K-edge pre-edge structure in the x-ray absorption spectra of the perovskites La(1-x)A(x)MnO(3), (A = Ca, Sr; x = 0.3, 0.4) reveals a correlation between the disappearance of the splitting in the pre-edge…
Accurate high-energy electron diffraction measurements of structure factors of NiO have been carried out to investigate how strong correlations in the Ni 3d shell affect electron charge density in the interior area of nickel ions and…
We report resonant inelastic x-ray measurements of insulating La$_2$CuO$_4$ and Sr$_2$CuO$_2$Cl$_2$ taken with the incident energy tuned near the Cu K absorption edge. We show that the spectra are well described in a shakeup picture in 3rd…
We extend the first-principles analysis of attosecond transient absorption spectroscopy to two-dimensional materials. As an example of two-dimensional materials, we apply the analysis to monolayer hexagonal boron nitride (h-BN) and compute…
We present measurements of K-shell x-ray emission following charge exchange of fully ionized argon with various neutral gaseous targets at small collision energies inside an electron beam ion trap. We also resolve the principal quantum…
We report calculations of oscillator strengths for the far infrared absorption of light by the excitonic complexes Xn- (the excess charge, n, ranging from one to four) confined in quantum dots. The magnetic field is varied in an interval…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…
Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…
Accurate atomic transition data are important in many astronomical research areas especially in line spectroscopy study. Whereas transition data of He-like and H-like ions (i.e., ions at high-charge states) are accurately calculated, that…
Vibrationally resolved near-edge x-ray absorption spectra at the K-edge for a number of small molecules have been computed from anharmonic vibrational configuration interaction calculations of the Franck-Condon factors. The potential energy…
Although electron energy loss near edge structure analysis provides a tool for experimentally probing unoccupied density of states, a detailed comparison with simulations is necessary in order to understand the origin of individual peaks.…
We study hole, electron and exciton transport in a charge transfer system in the presence of underdamped vibrational motion. We analyze the signature of these processes in the linear and third-, and fifth-order nonlinear electronic spectra.…