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The first principles density functional theory (DFT) is applied to study effects of molecular adsorption on optical losses of silver (111) surface. The ground states of the systems including water, methanol, and ethanol molecules adsorbed…

The electronic structure of electron-doped polycrystalline Mg$_{1-x}$Al$_{x}$(B$_{1-y}$C$_{y}$)$_2$ was examined by electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM) and first-principle…

The discovery of high-temperature superconductivity in Fe-based compounds [1,2] has triggered numerous investigations on the interplay between superconductivity and magnetism [3] and, more recently, on the enhancement of transition…

The elemental composition and electronic structure of materials analyzed by electron energy loss spectroscopy (EELS) are probed by the inner-shell ionization of atoms. This is a localized process that can be approximated by the scattering…

We present results for the optical absorption spectra of small-diameter single-wall carbon and boron nitride nanotubes obtained by {\it ab initio} calculations in the framework of time-dependent density functional theory. We compare the…

A complete knowledge of its excitation spectrum could greatly benefit efforts to understand the unusual form of superconductivity occurring in the lightly hole-doped copper-oxides. Here we use tunnelling spectroscopy to measure the T\to 0…

The gravitational redshift measured by Cottam, Paerels and Mendez for the neutron star (NS) in the low-mass X-ray binary EXO 0748-676 depends on the identification of an absorption line during a type I burst as the H$\alpha$ line from…

A potential application of two-dimensional (2D) MXenes, such as Ti2CTx and Ti3C2Tx, is energy storage devices, such as supercapacitors, batteries, and hydride electrochemical cells, where intercalation of ions between the 2D layers is…

Semiconducting MXenes are an intriguing two-dimensional (2D) material class with promising electronic and optoelectronic properties. Here, we focused on recently prepared Hf-based MXenes, namely Hf$_3$C$_2$O$_2$ and Hf$_2$CO$_2$. Using the…

Single layer core/shell structures consisting of graphene as core and hexagonal boron nitride as shell are studied using first-principles plane wave method within density functional theory. Electronic energy level structure is analysed as a…

The polarization dependence of the near edge x-ray absorption spectroscopy (XANES) is an element specific probe to the real-space distribution of the density of unoccupied states in solid-state materials. In this paper, we present Fe and As…

We present a Density Functional Theory (DFT) based first-principles study on iron chalcogenides superconductor FeSe, systematically investigating pressure and doping induced modifications to its electronic, magnetic, and lattice dynamical…

We develop a technique based on density functional theory and the projector augmented wave method in order to obtain the x-ray absorption cross section at a general edge, both in the electric dipole and quadrupole approximations. The method…

Ge$_{1-x}$Fe$_{x}$ (Ge:Fe) shows ferromagnetic behavior up to a relatively high temperature of 210 K, and hence is a promising material for spintronic applications compatible with Si technology. We have studied its electronic structure by…

In this paper, high Fe-concentration Fe$_{1-x}$Ni$_{x}$ alloys were investigated using high resolution X-ray photoelectron spectroscopy (XPS) down to 10K temperature. The Fe 2s core level exhibits three features, two low binding features…

Recent studies have highlighted the sensitivity of core-collapse supernovae (CCSNe) models to electron-capture (EC) rates on neutron-rich nuclei near the N=50 closed-shell region. In this work, we perform a large suite of one-dimensional…

We devise a theoretical description for the response of nitrogen molecules (N2) to ultrashort and intense x rays from the free electron laser (FEL) Linac Coherent Light Source (LCLS). We set out from a rate-equation description for the…

We report the electronic and local structural investigation of double pervoskites Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0--1) using x-ray absorption near edge structure (XANES) and extended x-ray absorption fine structures (EXAFS) at the Nb, Co,…

Analytic expressions for the absorption coefficient (AC) of a weak electromagnetic wave (EMW) in 2D Graphene under influence of strong laser radiation are calculated using the quantum kinetic equation (QKE) in the case of electron-optical…

The advent of black phosphorus field-effect transistors (FETs) has brought new possibilities in the study of two-dimensional (2D) electron systems. In a black phosphorus FET, the gate induces highly anisotropic 2D electron and hole gases.…