Broad Photon Energy Range Research Articles

An ab initio analysis of the electronic, optical, and thermoelectric characteristics of the Zintl phase CsGaSb2

We present and analyze the findings of a comprehensive ab initio computation that examines the electronic, optical, and thermoelectric characteristics of a recently synthesized Zintl compound known as CsGaSb2. The electronic and optical characteristics were examined using the DFT-based FP-L/APW+loapproach. Toaddress the exchange–correlation effects, we employed the GGA-PBEsol and TB-mBJ approaches.The CsGaSb2 semiconductor exhibits an indirect bandgap of 0.695 eV when analyzed with the GGA-PBEsol approach, and a bandgap of 1.254 eV when analyzed with the TB-mBJ approach.The PDOS diagrams were used to discover the origins of the electronic states that make up the energy bands. The charge density study reveals that the Ga-Sb link within the [GaSb2] block is mostly governed by a covalent character, whereas the cation Cs+ and polyanion [MSb2]−bonding is predominantly ionic. The frequency dependence of macroscopic linear optical coefficients was evaluated over a broad range of photon energies from 0 to 25 eV. The thermoelectric characteristics were investigated via the Boltzmann kinetic transport theoryassuming a constant relaxation time.The compound’s figure of merit at a temperature of 900 K is roughly 0.8.

Keldysh crossover in one-dimensional Mott insulators

Recent advancements in pulse laser technology have facilitated the exploration of nonequilibrium spectroscopy of electronic states in the presence of strong electric fields across a broad range of photon energies. The Keldysh crossover serves as an indicator that distinguishes between excitations resulting from photon absorption triggered by near-infrared multicycle pulses and those arising from quantum tunneling induced by terahertz pulses. Using a time-dependent density-matrix renormalization group, we investigate the emergence of the Keldysh crossover in a one-dimensional (1D) Mott insulator. We find that the Drude weight is proportional to photo-doped doublon density when a pump pulse induces photon absorption. In contrast, the Drude weight is suppressed when a terahertz pulse introduces doublons and holons via quantum tunneling. The suppressed Drude weight accompanies glassy dynamics with suppressed diffusion, which is a consequence of strong correlations and exhibits finite polarization decaying slowly after pulse irradiation. In the quantum tunneling region, entanglement entropy slowly grows logarithmically. These contrasting behaviors between the photon-absorption and quantum tunneling regions are a manifestation of the Keldysh crossover in 1D Mott insulators and provide a novel methodology for designing the localization and symmetry of electronic states called subcycle-pulse engineering.

Attenuation properties of poly methyl methacrylate reinforced with micro/nano ZrO2 as gamma-ray shields

This research aimed to examine the radiation shielding properties of unique polymer composites for medical and non-medical applications. For this purpose, polymer composites, based on poly methyl methacrylate (PMMA) as a matrix, were prepared and reinforced with micro- and nanoparticles of ZrO2 fillers at a loading of 15%, 30%, and 45% by weight. Using the high purity germanium (HPGe) detector, the suggested polymer composites’ shielding characteristics were assessed for various radioactive sources. The experimental values of the mass attenuation coefficients (MAC) of the produced composites agreed closely with those obtained theoretically from the XCOM database. Different shielding parameters were estimated at a broad range of photon energies, including the linear attenuation coefficient (μ), tenth value layer (TVL), half value layer (HVL), mean free path (MFP), effective electron density (Neff), effective atomic number (Zeff), and equivalent atomic number (Zeq), as well as exposure buildup factor (EBF) and energy absorption buildup factor (EABF) to provide more shielding information about the penetration of γ-rays into the chosen composites. The results showed that increasing the content of micro and nano ZrO2 particles in the PMMA matrix increases μ values and decreases HVL, TVL, and MFP values. P-45nZ sample with 45 wt% of ZrO2 nanoparticles had the highest μ values, which varied between 2.6546 and 0.0991 cm−1 as γ-ray photon energy increased from 0.0595 to 1.408 MeV, respectively. Furthermore, the highest relative increase rate in μ values between nano and micro composites was 17.84%, achieved for the P-45nZ sample at 59.53 keV. These findings demonstrated that ZrO2 nanoparticles shield radiation more effectively than micro ZrO2 even at the same photon energy and filler wt%. Thus, the proposed nano ZrO2/PMMA composites can be used as effective shielding materials to lessen the transmitted radiation dose in radiation facilities.

Design strategies and technology of Elettra 2.0 for a versatile offer to the user community

Elettra 2.0 will be a fourth generation storage ring light source replacing the existing Elettra synchrotron. This article illustrates design strategies, physical investigations and technical choices to meet multiple and sometimes conflicting requirements. These include to make Elettra 2.0 a fully transversely coherent source up to 0.5 keV-photon energy, diversify the type of experiments through a very broad range of photon energies, from infrared to hard x-rays, maximize the number of photon beamlines in excess of 2-times the machine periodicity, and be able to produce picosecond-long light pulses at MHz repetition rate without interference to the standard multi-bunch operation. Most recent advancements in beam physics, technical systems and installation plan are reported with some detail.

Electronic, optical and thermoelectric properties of Cs2XInCl6 (X = Ag, Na) halide double perovskites

Herein, the optoelectronic, structural, thermoelectric and elastic features of halide double perovskites (HDPs) Cs2XInCl6(X=Ag, Na) are examined by using full‐potential linearized augmented plane wave (FP‐LAPW) technique. The Generalized Gradient Approximation (GGA) and Tran‐Blaha modified Becke‐Johnson (TB‐mBJ) potential is employed to figure out the features of mentioned compounds. The computed values of direct band‐gaps (Eg) for Cs2AgInCl6 and Cs2NaInCl6 compounds are 2.52 and 5.24 eV, correspondingly. The stability of perovskites is confirmed in terms of formation energy ΔHf, tolerance factor (τ) and octahedral factor. Furthermore, optical properties analysis demonstrates that studied compound exhibit conductivity and absorptivity across a broad range of incident photon energy with minimum R(ω). Moreover, outcomes of elastic parameters display isotropic and ductile nature for both materials. Thermoelectric (TE) properties like thermal conductivity (k/τ), power factor (PF), electrical conductivity (σ/τ) and Seebeck coefficient (S) are also calculated by utilizing BoltzTrap code. Cs2NaInCl6 attained the maximum value of ZT (0.76) with PF of 0.42. Computed TE and optical parameters indicate that Cs2XInCl6(X=Ag, Na) are promising for usages in solar absorbing and energy conversion devices.This article is protected by copyright. All rights reserved.

Vertically Oriented Porous PET as Template to Integrated Metal Halide for High-Performance Large-Area and Ultra-Flexible X-Ray Detector.

High-performance X-ray detectors have immense potential in medical and security inspections. However, the current X-ray detectors are limited in flexible, high-spatial-resolution large-scale detection, and integration for imaging. Here, nuclear track-etched porous polyethylene terephthalate (PET) is developed as the template for preparing uniform, large-area (≥105 cm2 ), and flexible metal halide (MH)-based X-ray detectors. Adjustable high-density vertically oriented porous PET with adjustable thickness can provide proper physical support for flexible thick absorption film, thus improving X-ray absorption ability with excellent bending stability. Moreover, vertical channels can block the ion migration, lateral charge diffusion, and water/oxygen attacks, increasing activation energy for ionic transport, charge collection rate of electrodes, and environmental stability. Hence, the related detectors eventually obtain large sensitivity (6722 µC Gyair -1 cm-2 ), low detection limit (1.87 nGyair s-1 ), and high spatial resolution (5.17 lp mm-1 ) compared to the detectors without porous PET template. Meanwhile, the device shows no degradation after storage or working under various thermal attacks. MH-filled-PET is also monolithically integrated on the bottom circuit with different MHs and it is applied to single-pixel mode and fast linear-array imaging in a broad range of X-rays photon energy (20 to 160keV).

Engineering the band gap and optical properties of a two-dimensional molybdenum carbon fluoride MXene

Using first-principles density functional theory, we investigated the electronic and optical properties of monolayer and multilayer nanosheets of molybdenum carbon fluoride (Mo2CF2), a two-dimensional (2D) transition-metal carbide MXene. The indirect band gap of the Mo2CF2 semiconductor can be engineered by controlling the number of layers where the band gap energy changes from 0.278 eV for the monolayer to 0.249 eV for the trilayer nanosheet. The decrease in band gap energy in the multilayer is due to interlayer coupling, which splits the bands according to the number of layers. Mo2CF2 behaves as a metal with an anomalous dispersion and high optical conductivity at incident photon energies of 0.68–2.19, 3.49–6.68 and 7.30–8.31 eV. It has a relatively low reflectivity and is absorbing over a broad range of photon energies from about 0.429 (2890), 0.387 (3204) and 0.345 eV (3594 nm) for the monolayer, bilayer and trilayer nanosheets, respectively, achieving peak absorption in the vacuum ultraviolet region at about 7.9 eV (157 nm). The optical properties of Mo2CF2 can likewise be tuned by varying the number of layers. The unique behavior of its optical properties along with the ability to control its electronic and optical properties enhances the potential of 2D Mo2CF2 for various applications in the fields of electronics and energy storage.

Hyaluronic acid-coated ultrasmall BiOI nanoparticles as a potentially targeted contrast agent for X-ray computed tomography

Commercial X-ray computed tomography (CT) contrast agents (CAs) are not appropriate for multicolor CT imaging and are limited due to a lack of tumor targeting. In this contribution, to favor the combination of high Z elements like bismuth and iodine for a broad range of X-ray photon energy, BiOI nanoparticles (NPs) are synthesized with hyaluronic acid (HA) coating to target the tumor cells with CD44 overexpression. The crystal structure of BiOI NPs is determined by X-ray powder diffraction, and the size of NPs is determined by a transmission electron microscope at about 14 ± 3 nm. The dynamic diameter of the NPs (DLS) in PBS buffer was measured at about 100 nm. Fourier transform infrared spectroscopy and thermal gravimetric analysis confirm the coating of BiOI NPs with HA. The stability of the NPs was also investigated via UV–vis spectroscopy. The immunocytochemistry process is performed to investigate the targeting ability of synthesized NPs on the human colon cancer cells with CD44 antigen. Finally, the X-ray attenuation of prepared HA-coated BiOI NPs is higher than Iohexol as the commercially available iodinated contrasting agent at the same concentrations, which can be administrated at much lower doses to achieve similar contrast to Iohexol.

Soft X-ray ptychography system using a Wolter mirror for achromatic illumination optics.

A soft X-ray ptychography system using a Wolter mirror for the illumination optics has been developed. By taking advantage of the achromaticity of the optics, the system is capable of seamlessly imaging at half-period resolution of 50 nm with a broad photon-energy range from 250 eV to 2 keV while maintaining the focal position. Imaging a mammalian cell at various wavelengths was demonstrated, and high-resolution visualization of organelle was achieved. Stereo imaging was also performed with a long working distance of 20 mm. In combination with in-situ/operando and tomographic measurements, this system will be a powerful tool for observing biological and material targets with complex features.

Spectroscopic ellipsometry from 10 to 700 K

Abstract The temperature dependence of the optical constants of materials (refractive index, absorption and extinction coefficients, and dielectric function) can be determined with spectroscopic ellipsometry over a broad range of temperatures and photon energies or wavelengths. Such results have practical value, for example for applications of optical materials at cryogenic or elevated temperatures. The temperature dependence of optical gaps and their broadenings also provides insight into the scattering of electrons and holes with other quasiparticles, such as phonons or magnons. This review presents a detailed discussion of the experimental considerations for temperature-dependent ellipsometry and selected results for insulators, semiconductors, and metals in the infrared to ultraviolet spectral regions.

Electric field induced pure spin-photo current in zigzag stanene and germanene nanoribbons

The spin-photo current in single layer stanene and germanene under a linearly polarized light is theoretically investigated based on the tight-binding Hamiltonian combined with the nonequilibrium Green’s function at room temperature. The results show that by considering the simultaneous effect of the linear illumination and a vertical external electric field without any magnetic exchange element, pure spin-photo current without charge current is generated in two-dimensional lattices with a large intrinsic spin–orbit coupling. The necessity of enhanced spin life-time for detection of spin polarization can be explained by spin-valley locking concept. Spin-valley locking arises in buckled two-dimensional materials as a result of the large spin–orbit coupling and electric-field reversible valley spin polarization. Equal absorption of the linearly illumination at both valleys with different spin polarization, leads to pure spin-photo current injection. In addition, an acceptable photoresponsivity has been reported in a broad range of photon energy. The numerical results indicate high quantum efficiency with a maximum of nearly 83% and 50% for stanene and germanene, respectively. This work may pave theoretical reference toward design of new spin-optoelectronic devices based on satanene and germanene junctions with high performance.

Multifunctional Two-Dimensional VSi 2 N 4 / WSi 2 N 4 / VSi 2 N 4 Photodetector Driven by the Photogalvanic

Semiconducting monolayer $\mathrm{Mo}\mathrm{Si}$${}_{2}$$\mathrm{N}$${}_{4}$ and monolayer $\mathrm{WSi}$${}_{2}$$\mathrm{N}$${}_{4}$ have recently been fabricated and a number of two-dimensional (2D) materials with the same chemical formula and symmetry have been predicted, the mechanical, optical, and thermoelectric properties of which have been investigated. However, research regarding device applications of this 2D family have been very limited so far. Here, we propose a photodetector based on a 2D $\mathrm{VSi}$${}_{2}$$\mathrm{N}$${}_{4}$/$\mathrm{WSi}$${}_{2}$$\mathrm{N}$${}_{4}$/$\mathrm{VSi}$${}_{2}$$\mathrm{N}$${}_{4}$ lateral heterojunction, and investigate the transport properties of the photocurrent by using quantum transport simulations. The dependence of the photocurrent on the incident angle $\ensuremath{\alpha}$ and on the light-polarization angle $\ensuremath{\theta}$ is formulated. A robust photogalvanic effect is generated under the illumination of linearly polarized light due to the noncentrosymmetric ${C}_{2v}$ symmetry of the photodetector. The photocurrent has a $\mathrm{cos}(2\ensuremath{\theta})$ and $\mathrm{cos}(2\ensuremath{\alpha})$ dependence on the light polarization and on the incident angle, respectively. A pure spin current, a perfect spin-filtering effect, and an excellent spin-valve effect can be achieved at zero bias for a broad photon energy range with an appropriate polarization angle at both normal and horizontal incidence. Moreover, at horizontal incidence, the photocurrent is highly polarization sensitive with an extinction ratio of up to ${10}^{4}$. These results suggest that the 2D $\mathrm{WSi}$${}_{2}$$\mathrm{N}$${}_{4}$ family has promising multifunctional applications in low-power optoelectronics and spintronics.

Molecular Polar Surface Area, Total Solvent Accessible Surface Area (SASA), Heat of Formation, and Gamma-Ray Attenuation Properties of Some Flavonoids

The chemical and physical characteristics of several flavonoid compounds such as geraniol, thymoquinone, betaine, apigenin, N-acetylcysteine, catechin, l-carnosine, epigallocatachin, and saponarin were examined in this work. Numerous molecular properties of all flavonoid compounds used in this study were calculated using the Calculate Molecular Properties module of Accelrys Discovery Studio v20.1.0.19295.0. These properties included molecular polar surface area, total solvent accessible surface area, and heat of formation. We used the MCNPX general-purpose Monte Carlo code in combination with the Phy-X PSD software to determine gamma-ray interaction parameters such as attenuation coefficients, effective atomic numbers, and buildup factors. The findings indicate that the flavonoids’ elemental compositions have a direct effect on their chemical and physical properties. Additionally, a synergistic interaction of chemical and physical behaviors has been observed. Among the flavonoids studied, saporanin was shown to have the highest polar surface area and solvent accessible surface area, as well as the highest stability. Additionally, saporanin had the strongest gamma-ray attenuation characteristics across a broad photon energy range. It may be inferred that saporanin’s elemental structure enables a synergistic relationship between its chemical and physical characteristics. The findings of this study may contribute to the evaluation of saporanin’s hypoglycemic, antibacterial, and hepatoprotective effects.

Cesium Lead Halide Nanocrystals based Flexible X‐Ray Imaging Screen and Visible Dose Rate Indication on Paper Substrate

AbstractMetal halide semiconductors have huge potential on X‐ray detection, due to their high atomic number, adjustable photoluminescence wavelength, superior stability, and simple fabrication process. Here, cesium lead halide nanocrystals (CsPbX3 NCs) are fabricated on paper substrate as scintillator screen for the first time. By means of all‐solution processed spray‐coating method with optimization of polymethyl methacrylate, large‐area (>600 cm2) and low‐cost (0.0975 dollar cm−2) flexible scintillator screens are obtained with high resolution (≈5 lp mm−1), low detection limit (2.97 μGy s−1), high light yield (≈30000 photons/MeV), and fast response speed (<15 ms). The screen can achieve high‐resolution X‐ray non‐distortion imaging for non‐planar objects and realize battery check and safety monitoring at a broad range of photon energy (10–160 keV). In addition, real‐time dose rates can be easily estimated through counting the luminous arcs of the designed visible indicator. More important, the screen shows remarkable tolerance to high‐dose X‐ray radiation (tolerance over 60 Gyair continuous radiation with only 3% performance degradation), water soaking (2000 h), and conventional storage (over 300 days without apparent deterioration under ambient conditions). Hence, this work may provide huge potential in the field of medical diagnosis, non‐planar detection, and safety monitoring in the future.

Heavy metal oxide (HMO) glasses as an effective member of glass shield family: A comprehensive characterization on gamma ray shielding properties of various structures

Using advanced Monte Carlo simulation techniques and theoretical methodologies, a thorough investigation on the gamma-ray shielding properties of several heavy metal oxide glasses were performed. The general-purpose Monte Carlo code MCNPX (version 2.7.0) was used to simulate gamma-ray transmission to determine fundamental attenuation coefficients. The acquired findings were compared to Phy-X/PSD to confirm that the outputs were consistent. Additionally, other gamma-ray shielding parameters were computed and studied throughout a broad photon energy range of 0.015 MeV–15 MeV. From A to F glass samples, a sharp density increase from 5.99 g/cm3 to 8.9 g/cm3 was found. As a result, the F sample was found to have the highest linear attenuation coefficients. Our results indicate that increasing the amount of Bi reinforcement improved the material's overall gamma-ray attenuation properties. The F sample with the highest Bi reinforcement in its glass structure was subsequently shown to have superior gamma-ray shielding characteristics. Finally, we compared the F sample's half-value layer values to those of other commercial glass shields, various concretes, and other glass shields investigated in the literature. As a consequence of the benchmarking procedure, it has been determined that the F sample has better shielding capabilities than other shielding materials. It can be concluded that heavy metal oxide glasses offer apparent benefits in terms of more efficiently attenuating incoming gamma-rays. Additionally, it can be concluded that applying high Bi to heavy metal oxide glasses is a beneficial strategy for improving the gamma-ray attenuation capabilities of heavy metal oxide glasses.

Analysis of the Radiation Attenuation Parameters of Cu2HgI4, Ag2HgI4, and (Cu/Ag/Hg I) Semiconductor Compounds

This analysis aims to determine photon attenuation for five different ternary and binary iodide compounds using Phy-X/PSD software. For a broad range of photon energies between 0.015 and 15 MeV, the mass attenuation coefficient (MAC), linear attenuation coefficient (LAC), half-value layer (HVL), tenth-value layer (TVL), and mean free path (MFP) for the samples of Cu2HgI4, Ag2HgI4, CuI, AgI, and HgI were calculated. For illustration, the following values of TVL apply at 1 MeV: S1: 6.062 cm, S2: 6.209 cm, S3: 6.929 cm, S4: 6.897 cm, and S5: 4.568 cm. Some important parameters, such as total atomic cross-sections (ACS), electronic cross-sections (ECS), the effective atomic numbers (Zeff), effective electron density (Neff), and effective conductivity (Ceff) of the samples were also calculated. Additionally, exposure buildup factors (EBF) and energy-absorption buildup factor (EABF) were estimated. These data on the radiation characteristics of our samples could be useful for gamma attenuation. The HgI sample has the highest FNRCS values (0.0892) relative to the other tested samples showing good neutron attenuation features. The CuI sample shows low gamma attenuation features; in contrast, it shows high neutron attenuation features.

Preliminary study on a new 3D radiochromic KI-Pluronic F-127 gel dosimeter for radiotherapy

This work concerns a new potassium iodide based radiochromic gel dosimeter with Pluronic F-127 gel matrix. The optimal dosimeter composition obtained in this work comprises 200 mM potassium iodide as a radiation sensitive colour changing compound, 200 mM fructose, 50 mM gluconic acid δ-lactone and 25% (w/w) poly(ethylene oxide)-block-poly(propylene oxide)-block-poly(ethylene oxide) (Pluronic F-127) as a physical gel matrix. The potassium iodide changes from colourless to yellow colour upon ionizing radiation and the intensity of colour increases with an increase of radiation dose. The dosimeter after irradiation was measured using UV-Vis spectrophotometry to derive basic characteristics related to dose response: threshold dose, linear and dynamic dose response, dose sensitivity as well as stability over time after irradiation. Water equivalence was also analysed with respect to other similar 3D radiochromic gel dosimeters for a broad photon energy range. The results obtained indicate that the KI-Pluronic F-127 radiochromic gel dosimeter shows potential for use in 3D radiotherapy dosimetry.

Binary Amplitude Reflection Gratings for X-ray Shearing and Hartmann Wavefront Sensors.

New, high-coherent-flux X-ray beamlines at synchrotron and free-electron laser light sources rely on wavefront sensors to achieve and maintain optimal alignment under dynamic operating conditions. This includes feedback to adaptive X-ray optics. We describe the design and modeling of a new class of binary-amplitude reflective gratings for shearing interferometry and Hartmann wavefront sensing. Compact arrays of deeply etched gratings illuminated at glancing incidence can withstand higher power densities than transmission membranes and can be designed to operate across a broad range of photon energies with a fixed grating-to-detector distance. Coherent wave-propagation is used to study the energy bandwidth of individual elements in an array and to set the design parameters. We observe that shearing operates well over a ±10% bandwidth, while Hartmann can be extended to ±30% or more, in our configuration. We apply this methodology to the design of a wavefront sensor for a soft X-ray beamline operating from 230 eV to 1400 eV and model shearing and Hartmann tests in the presence of varying wavefront aberration types and magnitudes.

Gas-phase endstation of electron, ion and coincidence spectroscopies for diluted samples at the FinEstBeAMS beamline of the MAX IV 1.5 GeV storage ring.

Since spring 2019 an experimental setup consisting of an electron spectrometer and an ion time-of-flight mass spectrometer for diluted samples has been available for users at the FinEstBeAMS beamline of the MAX IV Laboratory inLund, Sweden. The setup enables users to study the interaction of atoms, molecules, (molecular) microclusters and nanoparticles with short-wavelength (vacuum ultraviolet and X-ray) synchrotron radiation and to follow the electron and nuclear dynamics induced by this interaction. Test measurements of N2 and thiophene (C4H4S) molecules have demonstrated that the setup can be used formany-particle coincidence spectroscopy. The measurements of the Ar 3p photoelectron spectra by linear horizontal and vertical polarization show that angle-resolved experiments can also be performed. The possibility to compare the electron spectroscopic results of diluted samples with solid targets in the case of Co2O3 and Fe2O3 at the Co and Fe L2,3-absorption edges in the same experimental session is also demonstrated. Because the photon energy range of the FinEstBeAMS beamline extends from 4.4 eV up to 1000 eV, electron, ion and coincidence spectroscopy studies can be executed in a very broad photon energy range.

Local electric field measurement in GaN diodes by exciton Franz–Keldysh photocurrent spectroscopy

The eXciton Franz–Keldysh (XFK) effect is observed in GaN p–n junction diodes via the spectral variation of photocurrent responsivity data that redshift and broaden with increasing reverse bias. Photocurrent spectra are quantitatively fit over a broad photon energy range to an XFK model using only a single fit parameter that determines the line shape and the local bias (Vl), uniquely determining the local electric field maximum and depletion widths. As expected, the spectrally determined values of Vl vary linearly with the applied bias (V) and reveal a large reduction in the local electric field due to electrostatic non-uniformity. The built-in bias (Vbi) is estimated by extrapolating Vl at V=0, which, when compared with independent C-V measurements, indicates an overall ±0.31 V accuracy of Vl. This demonstrates sub-bandgap photocurrent spectroscopy as a local probe of electric field in wide bandgap diodes that can be used to map out regions of device breakdown (hot spots) for improving electrostatic design of high-voltage devices.