K-shell Absorption Research Articles

Irradiation system for biological experiments on BL14B1 at SPring-8

We present an irradiation system for biological experiments on BL14B1 beam line of SPring-8, where enables to use white and monochromatic X-rays (from 5 to 90 keV). An effective energy of white X-rays is assessed as 120 keV and their average dose rate is determined as approximately 170 Gy/s using a l-alanine dosimeter. Also, we speak about dosimetry of monochromatic X-rays using an optical stimulated luminescence detector. Average dose rates of monochromatic X-rays with 33.0, 33.2, 33.4 and 34.0 keV are estimated as 0.099 ± 0.006 Gy/s. The irradiation dose of white and monochromatic X-rays, of course, can be monitored using ionization chamber. When we use monochromatic X-rays with 33.2 keV, where is the K-shell absorption edge of iodine, Auger electrons are emitted, leading significant improvement of biological effectiveness. Thus, we have estimated the absorbed dose low-energy secondaries, such as Auger electrons and characteristic X-rays, emitted from iodine as 1.3 × 10−2 Gy/mM/min at BL14B1, depending on iodine concentration.

Gamma Radiation Shielding Efficiency of High Entropy Alloys: A Comparative Study

High entropy alloys (HEAs) represent a novel class of materials characterized by their unique composition of four or more principal elements in near-equiatomic ratios, offering exceptional properties for various applications. This study investigates the gamma radiation shielding parameters of selected HEAs, namely FeCoNiCrMn, TaNbHfZrTi, NbMoTaW, AlMoNbV, and NbTaTiV. Mass attenuation coefficients (MAC) were calculated by using EpiXS program over a photon energy range of 0.015-15 MeV and verified these results with the WinXCOM software. The findings reveal that the MAC values are highest at low photon energies due to the photoelectric effect, with notable peaks corresponding to the K-shell absorption edges of specific elements. The half-value layer (HVL) and mean free path (MFP) values indicate that thicker HEA samples are required to achieve effective shielding at higher energies. Additionally, the effective atomic number (Zeff) and exposure buildup factors (EBF) were analyzed. The results demonstrate that NbMoTaW and TaNbHfZrTi, offer superior radiation shielding capabilities compared to conventional shielding materials, with higher usability in environments subjected to gamma radiation. These findings underscore the potential of HEAs in advanced shielding applications, emphasizing their role in enhancing safety and performance in high-demand sectors.

Measurement of 2p-3d absorption in a hot molybdenum plasma

We present measurements of the 2p-3d transition opacity of a hot molybdenum–scandium sample with nearly half-vacant molybdenum M-shell configurations. A plastic-tamped molybdenum–scandium foil sample is radiatively heated to high temperature in a compact D-shaped gold Hohlraum driven by ∼30 kJ laser energy at the SG-100 kJ laser facility. X rays transmitted through the molybdenum and scandium plasmas are diffracted by crystals and finally recorded by image plates. The electron temperatures in the sample in particular spatial and temporal zones are determined by the K-shell absorption of the scandium plasma. A combination of the IRAD3D view factor code and the MULTI hydrodynamic code is used to simulate the spatial distribution and temporal behavior of the sample temperature and density. The inferred temperature in the molybdenum plasma reaches a average of 138 ± 11 eV. A detailed configuration-accounting calculation of the n = 2–3 transition absorption of the molybdenum plasma is compared with experimental measurements and quite good agreement is found. The present measurements provide an opportunity to test opacity models for complicated M-shell configurations.

Toward constraint of ionization-potential depression models in a convergent geometry

We demonstrate the value of inner-shell X-ray absorption spectroscopy for dense-plasma atomic physics and explore the coupling between constraint of the thermodynamic state and constraint of ionization-potential depression models. Synthetic K-shell absorption spectra are generated along a radius from a point-like core and analyzed using different ionization-potential depression models. Within this synthetic analysis framework, we identify plasma conditions (Te=400 eV, ρ=40 g/cm3) accessible by spherical implosions where K-shell absorption spectra discriminate between models if the material temperature is measured to a precision of 20%. The analysis is extensible to a finite-sized core and can be used to guide future studies of ionization-potential depression, informing material and radiative properties of matter in fusion plasmas and stellar interiors.

Stain-free mapping of polymer-blend morphologies via application of high-voltage STEM-EELS hyperspectral imaging to low-loss spectra

Polymer blends composed of multiple types of polymers are used for various industrial applications; therefore, their morphologies must be understood to predict and improve their physical properties. Herein, we propose a spectral imaging method based on scanning transmission electron microscopy (STEM) and electron energy-loss spectroscopy to map polymer morphologies with nanometric resolution as an alternative to the conventional electron staining technique. In particular, the low-loss spectra of the 5–30 eV energy-loss region were measured to minimize electron irradiation damage rather than the core-loss spectra, such as carbon K-shell absorption spectra, which require significantly longer recording times. Medium-voltage (200 kV) and high-voltage (1000 kV) STEM was used at various temperatures to compare the degrees of electron-beam damage resulting from various electron energies and sample temperatures. A multivariate curve resolution technique was used to isolate the constituent spectra and visualize their distributions by distinguishing the characteristic peaks derived from various chemical species. High-voltage STEM was more useful than medium-voltage STEM for analyzing thicker samples while suppressing ionization damage.

X-Ray Spectroscopy of Interstellar Carbon: Evidence for Scattering by Carbon-bearing Material in the Spectrum of 1ES 1553+113

Molecules and particles make up ∼40%–70% of carbon in the interstellar medium, yet the exact chemical structure of these constituents remains unknown. We present carbon K-shell absorption spectroscopy of the Galactic interstellar medium obtained with the Low Energy Transmission Grating Spectrometer on board the Chandra Observatory that directly addresses this question. We probe several lines of sight, using bright active galactic nuclei as backlighters. We make our measurements differentially with respect to the bright source Mrk 421, in order to take the significant carbon K absorption in the instrument into account. In the spectrum of the blazar 1ES 1553+113 we find evidence for a novel feature: strong extinction on the low-energy side of the neutral C 1s−2p resonance, which is indicative of scattering by graphite particles. We find evidence for characteristic particle radii of order 0.1–0.15 μm. If this explanation for the feature is correct, limits on the mass of the available carbon along the line of sight may imply that the grains are partially aligned, and the X-rays from the source may have intrinsic polarization.

Nanometer-scale depth-resolved hard x-ray absorption spectroscopy based on the detection of energy-loss Auger electrons with low energies

X-ray absorption spectroscopy (XAS) provides information on the chemical state and atomic structure of a target element even without long-range periodicity. A depth-resolved surface-sensitive XAS method for K-edge using hard x rays is proposed herein. The principle of this method is based on the selective detection of low-energy electrons using an electron analyzer. The detected electrons originate from the LMM Auger electrons that cascade from the KLL Auger process caused by K-shell absorption and lose the energy corresponding to their travel distance in a solid. The analysis depth was confirmed to be in the nanometer range using a GaN substrate with a thin oxide film of the defined thickness. In addition, depth-resolved information regarding the local atomic structure, including the interatomic distance and crystallinity, was obtained via the Fourier transformation of the spectral oscillations. Because the proposed technique does not require a change in the detection angle, it is also expected to be used for particles and samples with uneven surfaces.

Simulation Calculation of Element Number Density in the Earth’s Atmosphere Based on X-ray Occultation Sounding

The number density profiles of elements N and O in the altitude range of 120–250 km are retrieved by simulation based on X-ray occultation. Based on the parameters of the NICER telescope, the energy spectrum forward model of the Crab Nebula in the energy range of 0.25–8 keV during the occultation is constructed, and the energy spectrum simulation data are obtained by adding noise to the energy spectrum forward model at different tangent point altitudes. The NICER energy band includes the K-shell absorption edges (0.4 keV, 0.53 keV for N, O), and there are significant differences in X-ray cross sections at the K-shell absorption edges, which provides an opportunity to retrieve the atmospheric density of each element. The MCMC algorithm is used to fit the energy spectrum forward model and simulation data, and the density profiles of elements N and O are retrieved. It is found that the retrieved error of O element in the altitude range of 120–140 km is large, which may be related to the low proportion of O in the line of sight and the low signal-to-noise ratio of simulation data. In the altitude range of 140–200 km, the retrieved error of elements N and O is small, but in the altitude range of 200–250 km, the retrieved error of elements N and O becomes larger, and the inconsistency between the retrieved results and NRLMSISE-00 model values increases. This is because the number of absorbed photons is reduced due to the thin atmospheric density at higher altitude, which introduces great uncertainty into the retrieved results. This study lays a foundation for element density retrieval based on X-ray occultation measured data in the future.

X-ray absorption spectroscopy without the self-absorption effect by detecting l-line fluorescence at the K-edge

A novel measurement method that addresses the self-absorption effect, which is a significant disadvantage in X-ray absorption spectroscopy in fluorescence yield mode for surface analysis, is proposed. The validity and features were experimentally verified using copper. This method uses the l-line fluorescence that cascades from the KLL Auger process caused by K-shell absorption. The obtained spectrum is unaffected by the self-absorption effect and is not distorted. The confirmed features are that the spectral oscillation with a wide energy range is obtained, and the analysis depth is comparable to that of the l-edge measurement. In addition, the proposed method theoretically applies to samples with uneven surfaces, that is, various actual materials.

Electronic structure of a borophene layer in rare-earth aluminum/chromium boride and its hydrogenated derivative borophane

We studied electronic states of borophene in a crystal of rare-earth aluminum/chromium boride and the hydrogenated sheet, borophane, successfully prepared by ion exchange and liquid exfoliation of the crystal. The layer has a boron network with five-membered and seven-membered rings. Electronic structures of all the boron-derived layers are found to be gapless by soft x-ray absorption and emission spectroscopy measurements at the B K-shell absorption edge and density functional theory calculations. The present results support the existence of a Dirac nodal loop at the Fermi level in the borophane layer with five- and seven-membered rings, predicted recently by topological calculations.

Energy Recovery of Multiple Charge Sharing Events in Room Temperature Semiconductor Pixel Detectors.

Multiple coincidence events from charge-sharing and fluorescent cross-talk are typical drawbacks in room-temperature semiconductor pixel detectors. The mitigation of these distortions in the measured energy spectra, using charge-sharing discrimination (CSD) and charge-sharing addition (CSA) techniques, is always a trade-off between counting efficiency and energy resolution. The energy recovery of multiple coincidence events is still challenging due to the presence of charge losses after CSA. In this work, we will present original techniques able to correct charge losses after CSA even when multiple pixels are involved. Sub-millimeter cadmium–zinc–telluride (CdZnTe or CZT) pixel detectors were investigated with both uncollimated radiation sources and collimated synchrotron X rays, at energies below and above the K-shell absorption energy of the CZT material. These activities are in the framework of an international collaboration on the development of energy-resolved photon counting (ERPC) systems for spectroscopic X-ray imaging up to 150 keV.

Experimental and Theoretical Study of the Electronic Structures of Lanthanide Indium Perovskites LnInO3.

Ternary lanthanide indium oxides LnInO3 (Ln = La, Pr, Nd, Sm) were synthesized by high-temperature solid-state reaction and characterized by X-ray powder diffraction. Rietveld refinement of the powder patterns showed the LnInO3 materials to be orthorhombic perovskites belonging to the space group Pnma, based on almost-regular InO6 octahedra and highly distorted LnO12 polyhedra. Experimental structural data were compared with results from density functional theory (DFT) calculations employing a hybrid Hamiltonian. Valence region X-ray photoelectron and K-shell X-ray emission and absorption spectra of the LnInO3 compounds were simulated with the aid of the DFT calculations. Photoionization of lanthanide 4f orbitals gives rise to a complex final-state multiplet structure in the valence region for the 4fn compounds PrInO3, NdInO3, and SmInO3, and the overall photoemission spectral profiles were shown to be a superposition of final-state 4fn–1 terms onto the cross-section weighted partial densities of states from the other orbitals. The occupied 4f states are stabilized in moving across the series Pr–Nd–Sm. Band gaps were measured using diffuse reflectance spectroscopy. These results demonstrated that the band gap of LaInO3 is 4.32 eV, in agreement with DFT calculations. This is significantly larger than a band gap of 2.2 eV first proposed in 1967 and based on the idea that In 4d states lie above the top of the O 2p valence band. However, both DFT and X-ray spectroscopy show that In 4d is a shallow core level located well below the bottom of the valence band. Band gaps greater than 4 eV were observed for NdInO3 and SmInO3, but a lower gap of 3.6 eV for PrInO3 was shown to arise from the occupied Pr 4f states lying above the main O 2p valence band.

The nuts and bolts of core-hole constrained ab initio simulation for K-shell x-ray photoemission and absorption spectra

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 support for the interpretation of complex spectra containing overlapping signatures. Approximate core-hole simulation methods based on density functional theory (DFT) such as the delta-self-consistent-field (ΔSCF) method or the transition potential (TP) method are widely used to predict K-shell XPS and NEXAFS signatures of organic molecules, inorganic materials and metal–organic interfaces at reliable accuracy and affordable computational cost. We present the numerical and technical details of our variants of the ΔSCF and TP method (coined ΔIP-TP) to simulate XPS and NEXAFS transitions. Using exemplary molecules in gas-phase, in bulk crystals, and at metal–organic interfaces, we systematically assess how practical simulation choices affect the stability and accuracy of simulations. These include the choice of exchange–correlation functional, basis set, the method of core-hole localization, and the use of periodic boundary conditions (PBC). We particularly focus on the choice of aperiodic or periodic description of systems and how spurious charge effects in periodic calculations affect the simulation outcomes. For the benefit of practitioners in the field, we discuss sensible default choices, limitations of the methods, and future prospects.

X-ray reprocessing in accreting pulsar GX 301-2 observed with Insight-HXMT

ABSTRACT We investigate the absorption and emission features in observations of GX 301-2 detected with Insight-HXMT/LE in 2017–2019. At different orbital phases, we found prominent Fe Kα, Kβ, and Ni Kα lines, as well as Compton shoulders and Fe K-shell absorption edges. These features are due to the X-ray reprocessing caused by the interaction between the radiation from the source and surrounding accretion material. According to the ratio of iron lines (Kα and Kβ), we infer the accretion material is in a low ionization state. We find an orbital-dependent local absorption column density, which has a large value and strong variability around the periastron. We explain its variability as a result of inhomogeneities of the accretion environment and/or instabilities of accretion processes. In addition, the variable local column density is correlated with the equivalent width of the iron Kα lines throughout the orbit, which suggests that the accretion material near the neutron star is spherically distributed.

The stratified disc wind of MCG-03-58-007

ABSTRACT Past Suzaku, XMM–Newton, and NuSTAR observations of the nearby (z = 0.03233) bright Seyfert 2 galaxy MCG-03-58-007 revealed the presence of two deep and blue-shifted iron K-shell absorption line profiles. These could be explained with the presence of two phases of a highly ionized, high column density accretion disc wind outflowing with vout1 ∼ −0.1c and vout2 ∼ −0.2c. Here we present two new observations of MCG-03-58-007: one was carried out in 2016 with Chandra and one in 2018 with Swift. Both caught MCG-03-58-007 in a brighter state ($F_{{\mathrm{2}-10\, keV}} \sim 4 \times 10^{-12}$ erg cm−2 s−1) confirming the presence of the fast disc wind. The multi-epoch observations of MCG-03-58-007 covering the period from 2010 to 2018 were then analysed. These data show that the lower velocity component outflowing with vout1 ∼ −0.072 ± 0.002c is persistent and detected in all the observations, although it is variable in column density in the range NH ∼ 3–8 × 1023 cm−2. In the 2016 Swift observation we detected again the second faster component outflowing with vout2 ∼ −0.2c, with a column density ($N_{\mbox{H}}=7.0^{+5.6}_{-4.1}\times 10^{23}$ cm−2), similar to that seen during the Suzaku observation. However during the Chandra observation 2 yr earlier, this zone was not present (NH < 1.5 × 1023 cm−2), suggesting that this faster zone is intermittent. Overall the multi-epochs observations show that the disc wind in MCG-03-58-007 is not only powerful, but also extremely variable, hence placing MCG-03-58-007 among unique disc winds such as the one seen in the famous QSO PDS456. One of the main results of this investigation is the consideration that these winds could be extremely variable, sometime appearing and sometime disappearing; thus to reach solid and firm conclusions about their energetics multiple observations are mandatory.

Enhanced Cell Inactivation and Double-Strand Break Induction in V79 Chinese Hamster Cells by Monochromatic X-Rays at Phosphorus K-Shell Absorption Peak

The cell inactivation and DNA double-strand break (DSB) induction by K-shell ionization of phosphorus atoms and Auger electrons were investigated. Monochromatic X-rays of on and below the phosphorus K-shell absorption peak, 2.153 keV and 2.147 keV were exposed to Chinese hamster lung fibroblast V79 cells. Survival fractions were plotted against exposure, Ψ [nC/kg] and the linear-quadratic model was adapted to estimate the parameters, α and β, of the survival curves. DSB induction rate [DSB/cell/Ψ] was estimated from the measured fractions of induced DNA fragments below 4.6 Mbp (Find(k < 4.6)), which were determined using pulse field gel electrophoresis. As results, cell inactivation and DSB induction rate of on the peak were significantly higher compared to that of the below. However, when converting Ψ to absorbed dose (Gy) of cell nucleus, the enhanced effect was only observed for parameter α, and not for a survival dose (Gy) of 37%, 10%, and 1% nor for a DSB induction rate. Our findings indicate that enhancement of cell inactivation and DSB induction were due to the additional dose delivered to the DNA and more complex DSB lesions were induced due to the release of phosphorus K-shell photoelectrons and Auger electrons.

Resolving the Soft X-Ray Ultrafast Outflow in PDS 456

Abstract Past X-ray observations of the nearby luminous quasar PDS 456 (at z = 0.184) have revealed a wide-angle accretion disk wind with an outflow velocity of ∼−0.25c, as observed through observations of its blueshifted iron K-shell absorption line profile. Here we present three new XMM-Newton observations of PDS 456: one in 2018 September where the quasar was bright and featureless and two in 2019 September, 22 days apart, occurring when the quasar was five times fainter and where strong blueshifted lines from the wind were present. During the second 2019 September observation, three broad (σ = 3000 km s−1) absorption lines were resolved in the high-resolution Reflection Grating Spectrometer spectrum that are identified with blueshifted O viii Lyα, Ne ix Heα, and Ne x Lyα. The outflow velocity of this soft X-ray absorber was found to be v/c = −0.258 ± 0.003, fully consistent with an iron K absorber with v/c = −0.261 ± 0.007. The ionization parameter and column density of the soft X-ray component (log ξ = 3.4, N H = 2 × 1021 cm−2) outflow was lower by about 2 orders of magnitude when compared to the high-ionization wind at iron K (log ξ = 5, N H = 7 × 1023 cm−2). Substantial variability was seen in the soft X-ray absorber between the 2019 observations, declining from N H = 1023 to 1021 cm−2 over 20 days, while the iron K component was remarkably stable. We conclude that the soft X-ray wind may originate from an inhomogeneous wind streamline passing across the line of sight that, due to its lower ionization, is located further from the black hole, on parsec scales, than the innermost disk wind.

Density matrix formalism for femtosecond x-ray absorption and its excitonic enhancement

A reduced density matrix (RDM) formalism to simulate the dynamics of core-valence electronic excitation in a metal induced by a femtosecond x-ray laser pulse is presented. The theory is based on the time-dependent unrestricted Hartree–Fock (TDUHF) equation for a one-electron RDM combined with an off-diagonal collision term in the Born approximation (BA), where molecular orbitals (MOs) of a model cluster are used as a basis set. These MOs are calculated with a newly developed semiempirical method in the neglect of diatomic differential overlap approximation that takes into account atomic core structures and valence-orbital hybridization. The off-diagonal component of core-valence RDM is decomposed into a rapidly oscillating factor synchronizing with the x-ray field and a slowly varying envelope; time evolution of the latter yields induced electric polarization and complex electric susceptibility. As a numerical test, K-shell absorption near-edge spectra of copper are computed for a single-shot, weak femtosecond x-ray pulse. It is thereby shown that the attractive interaction between an excited electron and a core hole, described by the exchange part of the self-energy matrix, gives rise to excitonic enhancement of x-ray near-edge absorption. The TDUHF approximation significantly overestimates the excitonic enhancement; additional consideration of the screening of electron-hole interaction by valence electrons in BA leads to a prediction of absorption coefficients comparable to the existing experimental values.

Local atomic structure of the GaN-side of the Al2O3/GaN interface revealed by X-ray absorption spectroscopy

The interface between a gate insulator (Al2O3) and a semiconductor (GaN) was investigated via surface-sensitive Ga K-edge extended X-ray absorption fine structure spectroscopy, achieved by detecting the GaLMM Auger electrons originated from the Ga K-shell absorption. This GaN-side interface study was conducted on Al2O3 thin films formed via atomic layer deposition. The determined atomic structures revealed GaN crystalline changes and the formation of Ga–O bonds due to nitrogen annealing.

GLIDER-A pulsed-current generator for laboratory astrophysics x-ray absorption experiments.

In the field of pulse-power, there has always been an interest on small and medium size pulsed-current generators (≤2 MA) which are affordable and of low maintenance. We developed the GLIDER, a compact and modular generator, that drives a gas-puff z-pinch load as a soft x-ray source (0.1-1 keV) for laboratory astrophysics absorption experiments. It comprises 48 bricks, tightly packed in a 1.7 m × 3.5 m × 0.8 m transformer oil container. Its compactness and reliability was enabled owing to unique multilayered oil-soaked insulators, and more than 100 post-hole convolutes. Its stripline includes interchangeable tiles for ease of construction and maintenance. Six triggering units enable current pulse shaping. The GLIDER was tested up to ±60 kV (34 kJ) and produced 2 MA in 450 ns rise time on a 5 nH load. We present grating spectra of K-shell absorption of neutral O and N proving the experimental concept and demonstrating column density and ionization measurements.