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In this work we present an interpretation of experimental O K-edge x-ray absorption near edge structure (XANES) in perovskite-type WO3 and AWO3 compounds (A = H and Na) using three different first principles approaches: (i)…
We present theoretical studies of morphology, stability, and electronic structure of monolayer hexagonal CBN alloys with rich content of h-BN and carbon concentration not exceeding 50 %. Our studies are based on the bond order type of the…
Well-ordered stepped semiconductor surfaces attract intense attention owing to the regular arrangements of their atomic steps that makes them perfect templates for the growth of one- dimensional systems, e.g. nanowires. Here, we report on…
The aging of a nanocrystalline equiatomic ZnSe alloy produced by mechanical alloying was investigated using X-ray diffraction (XRD) and differential scanning calorimetry (DSC) techniques. The measured XRD patterns showed that Se atoms…
There has been a growing request from the X-ray astronomy community for a quantitative estimate of systematic uncertainties originating from the atomic data used in plasma codes. Though there have been several studies looking into atomic…
The crystal structures of the triangular lattice, layered anhydrous alums KCr(SO4)2, RbCr(SO4)2 and KAl(SO4)2 are characterized by X-ray and neutron powder diffraction at temperatures between 1.4 and 773 K. The compounds all crystallize in…
Ultra-high dose rate radiation therapy (FLASH) based on proton irradiation is of major interest for cancer treatments but creates new challenges for dose monitoring. Amorphous hydrogenated silicon is known to be one of the most…
The nanostructure of hydrogenated amorphous silicon (a Si:H) is studied by a combination of small-angle X-ray (SAXS) and neutron scattering (SANS) with a spatial resolution of 0.8 nm. The a-Si:H materials were deposited using a range of…
We present a new experiment on (quasi) symmetric collision systems at low-velocity, namely Ar$^{17+}$ ions ($v=0.53$ a.u.) on gaseous Ar and N$_2$ targets, using low- and high-resolution X-ray spectroscopy. Thanks to an accurate efficiency…
The relationship between vacancy ordering and magnetism in TlFe1.6Se2 has been investigated via single crystal neutron diffraction, nuclear forward scattering, and transmission electron microscopy. The examination of chemically and…
We present an x-ray diffraction study on n-hexane in tubular silicon channels of approximately 10 nm diameter both as a function of the filling fraction f of the channels and as a function of temperature. Upon cooling, confined n-hexane…
In accordance with the AGN Unified Model, observed polarization can be related to the orientation of the line of sight with respect to the torus. AGN X-ray emission arises from the central region and carries the imprints of the obscuring…
Stacking faults (SF) are important structural defects that play an essential role in the deformation of engineering alloys. However, direct observation of stacking faults at the atomic scale can be challenging. Here, we use the analytical…
This paper reviews recent progress in the study of rare gas films on quasicrystalline surfaces. The adsorption of Xe on the 10-fold surface of decagonal Al-Ni-Co was studied using low-energy electron diffraction (LEED). The results of these…
The structure of amorphous materials has been debated since the 1930's as a binary question: amorphous materials are either Zachariasen continuous random networks (Z-CRNs) or Z-CRNs containing crystallites. It was recently demonstrated,…
By performing first-principles electronic structure calculations and analyzing effective magnetic model of alkali-doped iron selenides, we show that the materials without iron vacancies should approach a novel checkerboard phase in which…
We present results from the zeroth-order imaging of a Chandra HETGS observation of the nearby Seyfert 2 galaxy Circinus. Twelve X-ray sources were detected in the ACIS-S image of the galaxy, embedded in diffuse X-ray emission. The latter…
Quaternary Heusler alloys Co$_2$Cr$_{1-x}$Fe$_{x}$Al with varying Cr to Fe ratio $x$ were investigated experimentally and theoretically. The electronic structure and spectroscopic properties were calculated using the full relativistic…
We report the results from an homogeneous analysis of the X-ray (Chandra-ACIS) data available for a sample of 51 LINER galaxies selected from the catalogue by Carrillo et al. (1999) and representative of the population of bright LINER…
We present neutron diffraction analysis of BaFe$_2$(As$_{1-x}$P$_x$)$_2$ over a wide temperature (10 to 300 K) and compositional ($0.11 \leq x \leq 0.79$) range, including the normal state, the magnetically ordered state, and the…