eV Range Research Articles

Investigating the effects of hydrostatic pressure on the physical properties of cubic Sr3BCl3 (B = As, Sb) for improved optoelectronic applications: A DFT study

This article explores changes in the structural, electronic, elastic, and optical properties of the novel cubic Sr3BCl3 (B = As, Sb) with increasing pressure. This research aims to decrease the electronic band gap of Sr3BCl3 (B = As, Sb) by applying pressure, with the objective of enhancing the optical properties and evaluating the potential of these compounds for use in optoelectronic applications. It has been revealed that both the lattice parameter and cell volume exhibit a declining pattern as pressure increases. At ambient pressure, analysis of the band structure revealed that both Sr3AsCl3 and Sr3SbCl3 are direct band gap semiconductors. With increasing pressure up to 25 GPa the electronic band gap of Sr3AsCl3 (Sr3SbCl3) reduces from 1.70 (1.72) eV to 0.35 (0.10) eV. However, applying hydrostatic pressure enables the attainment of optimal bandgaps for Sr3AsCl3 and Sr3SbCl3, offering theoretical backing for the adjustment of Sr3BCl3 (B = As, Sb) perovskite's bandgaps. The electron and hole effective masses in this perovskite exhibit a gradual decrease as pressure rises from 0 to 25 GPa, promoting the conductivity of both electrons and holes. The elastic properties are calculated using the Thermo-PW tool, revealing that they are anisotropic, ductile, mechanically stable, and resistant to plastic deformation. Importantly, these mechanical properties of both compounds are significantly enhanced under pressure. Optical properties, including the absorption and extinction coefficients, dielectric function, refractive index, reflectivity, and loss function, were calculated within the 0–20 eV range under different pressure conditions. The calculated optical properties highlight the versatility and suitability of Sr3AsCl3 and Sr3SbCl3 perovskites for pressure-tunable optoelectronic devices.

Analyzing the Elements of X-ray Emission Spectrum of C/1999 S4 (LINEAR) and 9p/ Tempel 1 Comets

The study focused on the elemental abundance of two different comets. These comets were observed at an energy range of (100-10000) eV. The X-ray emission spectrum was analyzed and the results showed that comet C/1999 S4 (LINEAR) from the Oort cloud region (long-period) and comet 9p/Tempel 1 from the Kuiper Belt region (short-period) had the highest abundances of the different elements. The ds9 program used data from NASA's Chandra analysis to show the spectra of these comets and analyze their elements. The results showed that some elements were similar in all comets, such as (Carbon (C), Oxygen (O), Neon (Ne), and Silicon (Si)). While others varied from one comet to another, such as (Magnesium (Mg) and Chlorine (Cl)) elements which appeared in the C/1999 S4 (LINEAR) comet, and (Aluminum (A) and Phosphors (P)) elements which appeared in the 9P/Tempel 1 comet. This is due to these comets' areas of presence, where the elements of comets can be classified through their areas of presence.

Nanocarbons decorated TiO2 as advanced nanocomposite fabric for photocatalytic degradation of methylene blue dye and ciprofloxacin

In this research, C [graphene (Gr), multi-walled carbon nanotubes (MWCNTs), and single-walled carbon nanotubes (SWCNTs)] decorated TiO2 nanostructures were developed and further utilized to modify textile to achieve high-performance photocatalytic degradation of mixed water pollutants including methylene blue (MB) dye and pharmaceutical active compound, Ciprofloxacin (CPF) on solar radiation exposure (∼105 Lumens). The crystallite sizes of TiO2, TiO2-MWCNT, TiO2-SWCNT, and TiO2-Gr nanocomposites were observed in the 7.2–10.4 nm range. The bandgap, Eg of nanostructured C-TiO2, was observed in the 3.09–3.14 eV range. The photocatalytic performance of C-TiO2 showed almost complete removal of MB under the irradiation of the solar spectrum in just 120 min. Among C-based TiO2 nanocomposites, nanostructured TiO2-SWCNT showed the highest degradation efficiency of ∼98.86 % for MB dye. Further, the textile membrane showed a good degradation efficiency of 99.49 % for MB dye and 95.7 % for CPF within 120 min. An impressive removal efficiency of ∼93 % was observed for the mixture of MB and CPF solution due to a combination of several properties like surface groups (OH− & O2−), low charge recombination rate due to CNTs, and small crystal size. This proof-of-the-concept study can be the potential platform to manage water quality according to sustainability goals.

AIE active blue light emitting pyridine functionalized quinoxaline and pyridopyrazine derivatives exhibiting reversible acidofluorochromism and thermal sensitivity

This work presents a systematic study of five novel closely related pyridine-substituted quinoxaline and pyridopyrazine derivatives 3a-e. Modifying the quinoxaline framework by introducing electron donating and accepting units led to fine-tuning of optical, thermal, and electrochemical properties. The single crystal X-ray diffraction studies revealed a Y-shaped structure with a herringbone packing arrangement. These compounds showed aggregation-induced emission (AIE) with the formation of J-aggregates. These compounds emitted blue fluorescence with one of the compounds showing CIEy as low as 0.08 in CHCl3 and 0.09 in the solid state. The band gaps were evaluated using UV-visible spectroscopy and density functional theory (DFT). The optical band gaps in the solid state were in the 2.81–3.05 eV range. They exhibited reversible switching of emission properties upon treatment with trifluoroacetic acid (TFA) followed by triethylamine (TEA) in both solution and solid states, which was utilized to fabricate filter paper strips to detect volatile acids. The emission of compounds also displayed linear temperature dependence.

Evaluation of steering wheel vibration in electric vehicles and application to Dynamic Motor Drive

Eliminating steering wheel vibration is a key in refining vehicle Noise, Vibration, and Harshness (NVH). The absence of masking engine noise and vibration makes this challenge harder in a pure electric vehicle. This paper provides three key insights with regards to the evaluation of steering wheel vibration in EVs using on-road test data. First, we explore the effects of steering wheel grip variation in the measured accelerometer response. Second, we identify the limitations of evaluating powertrain induced vibration in a noisy environment and propose a post-processing technique to reject irregular road-induced perturbations from the measured data. Third, we evaluate a tuned mass absorber as a localized mitigation tool for steering wheel vibration. Finally, we describe how the above techniques were brought together to deliver a refined NVH experience while integrating Dynamic Motor Drive (DMD) technology as a software-only solution which has been shown to improve EV range by 0.4% on IPM and 3% on EESM based vehicles.

Probing ultralight scalar, vector and tensor dark matter with pulsar timing arrays

Pulsar timing arrays (PTAs) are sensitive to oscillations in the gravitational potential along the line-of-sight due to ultralight particle pressure. We calculate the probing power of PTAs for ultralight bosons across all frequencies, from those larger than the inverse observation time to those smaller than the inverse distance to the pulsar. We show that since the signal amplitude grows comparably to the degradation in PTA sensitivity at frequencies smaller than inverse observation time, the discovery potential can be extended towards lower masses by over three decades, maintaining high precision. We demonstrate that, in the mass range 10−26−10−23 eV, existing 15-year PTA data can robustly detect or rule out an ultralight component down to O(1−10)% of the total dark matter. Non-detection, together with other bounds in different mass ranges, will imply that ultralight scalar/axion can comprise at most 1−10% of dark matter in the 10−30−10−17 eV range. With 30 years of observation, current PTAs can extend the reach down to 0.1−1%, while next-generation PTAs such as SKA can attain the 0.01−0.1% precision. We generalize and derive predictions for ultralight spin-1 vector (i.e. dark photon) and spin-2 tensor dark components.

Doping of photoactive TiO2 films by DC plasma electrolytic oxidation: Effect of transition metals

Several beneficial features maintain TiO2 in the top list of viable materials for photocatalytic purposes. However, its relatively large band-gap (3.0–3.2 eV) still hampers practical applications under sunlight. This work explores Direct Current (DC) Plasma Electrolytic Oxidation (PEO) of titanium as a fast, easily-scalable and single-step tool to synthesise doped TiO2 photoanodes with controlled morphology, crystalline structure and thickness. Zn-, Cu- and Fe-doped crystalline TiO2 films were obtained in H2SO4 aqueous solutions containing ZnSO4, CuSO4 and FeSO4 precursors, respectively. As-prepared TiO2 films showed a porous and homogeneous sponge-like surface morphology, typical of PEO-produced oxides, and a crystalline phase structure consisting of a mixture of anatase and rutile phases. The anatase content varied in the 54–100 % range and correspondingly the band-gap energy was in the 2.85–3.07 eV range. Doped oxides prepared with a low concentration of the metal precursors showed monochromatic incident-photon-to-current-efficiency (IPCE) values exceeding those obtained with pristine TiO2 by up to 24 %, best performing in the order Zn- > Cu- > Fe-doped TiO2. Photocurrent under polychromatic UV-Vis irradiation showed an analogous trend and the estimated efficiency of solar-light harvesting was in the 0.3–4 % range, with Zn- ≈ Cu- > Fe-doped TiO2. Although the superior performance of the PEO-prepared metal-doped TiO2 could not be fully confirmed by photoelectrocatalytic oxidation tests of organics, the present investigation showed the viability of DC PEO for the synthesis of metal-doped TiO2 photoanodes.

Pressure-driven semiconducting to metallic transition in francium tin trihalides perovskite with improved optoelectronic performance: A DFT study

The objective of our study was to analyze the mechanical, magnetic, elastic, electrical, and optical characteristics of the halide-based perovskite FrSnX3 (X = Cl, Br, and I) at hydrostatic pressures ranging from 0 to 6 GPa. We conducted this analysis using first-principles calculations based on density functional theory. The thermodynamic and mechanical stability of the complex FrSnX3 (X = Cl, Br, and I) were calculated based on its formation enthalpy and elastic constant characteristics. The compound was found to be ductile and stable. FrSnCl3, FrSnBr3, and FrSnI3 are all classified as semiconductors according to band calculations. Their respective bandgaps are 1.046, 0.675, and 0.485 eV, respectively. These values remain constant when hydrostatic pressure is not applied. The bandgap and density of states of the three halides were examined to observe their variations with increasing induced pressure. The bandgaps of FrSnCl3, FrSnBr3, and FrSnI3 were measured to be 0 eV at pressures of 6, 4, and 2 GPa, respectively. In addition, a comprehensive study was conducted on the optical properties of cubic perovskites FrSnX3 (X = Cl, Br, and I) under different hydrostatic pressures ranging from 0 to 6 GPa. The investigation focused on analyzing the optical absorption, reflectivity, and refractive index, as well as the imaginary and real components of the dielectric functions. Under high pressure, the compound exhibited higher absorption capabilities for all compounds within the 10–13 eV range, transforming into a conductor. This property makes it well-suited for utilization in the UV spectrum. Chlorine exhibits the greatest absorption among all chemicals, whereas iodine demonstrates the least absorption. The reflectance values of all compounds range from 12% to 16% and increase with increasing pressure. At the energy level of zero, the refractive index’s real component ranges from 1.25 to 1.7, and it increases with increasing pressure. Chlorine has a relatively low refractive index compared to iodine. Bromine has the most pronounced variance. The dielectric characteristics typically vary from 4.5 to 7.5 F/m. As pressure increases, the charge storage capacities of all compounds increase. However, among these compounds, iodine has the highest capacity, while chlorine (Cl) has the lowest. The hydrostatic pressure applied to the structure FrSnX3 (X = Cl, Br, and I) causes it to become harder and more ductile. This is evident from the increasing values of the bulk, Young’s, and shear modulus, as well as the elastic constants (C11 and C12). We optimized the band structure and density of states by aligning the electrons in a co-linear location and assessed the magnetic properties. The diamagnetic characteristic of the FrSnX3 compound (where X = Cl, Br, and I) remained unchanged when subjected to increasing pressure. The results indicate that the perovskite material has exceptional absorption properties, indicating a change in its behavior from a transistor to a metal. The numerical findings highlight the potential applications of this material in photovoltaic cells, ultraviolet light absorbers, and optoelectronic devices.

Phonon-mediated quantum efficiency measurement in semiconductors

Accurate quantum efficiency measurement not only provides crucial information for the photovoltaic cell industry but also supports experiments aimed at directly detecting dark matter and elastic neutrino interactions. The dark matter direct searches paradigm has recently expanded to include particles with masses below 1,MeV/c2, where the expected signal in an electron–recoil interaction is approximately in the eV range, just above the energy gap for silicon and germanium. A robust calibration method for ionization signals in this lower energy region is essential. This paper presents a method for measuring quantum efficiency and yield (q/E) in semiconductors using phonon-mediated calorimetry. The Neganov–Trofimov–Luke phonon amplification method in low-temperature semiconductor crystals has been employed to indirectly measure ionization down to single-electron accuracy. Specifically, at zero bias, the phonon readout directly quantifies the total energy deposited within the detector, independent of the ionization yield. This eliminates a significant source of systematic uncertainty in quantum efficiency estimates associated with total energy uncertainty. The paper includes results from an updated ionization efficiency measurement in a germanium detector.

Photoionization and Dissociative Photoionization of Acetaldehyde in the 10.0-13.7 eV Range by Synchrotron Photoelectron Photoion Coincidence Spectroscopy.

Photoionization and dissociative photoionization of acetaldehyde (CH3CHO) in the 10.0-13.7 eV energy range are studied by using synchrotron radiation double imaging photoelectron photoion coincidence spectroscopy (i2PEPICO). The X2A' and A2A" electronic states of CH3CHO+ as well as the Franck-Condon gap region between these two states have been populated with several vibrational sequences and assigned in the high-resolution slow photoelectron spectrum (SPES). The adiabatic ionization energies (AIEs) of the X2A' and A2A" states are measured at 10.228±0.006 and 12.52±0.05 eV, respectively. The present results show that the X2A' state is a stable state while the A2A" state is fully dissociative to produce CH3CO+, CHO+ and CH4 + fragment ions. The 0 K appearance energies (AE0K) of CH3CO+ and CHO+ fragment ions are determined through the modeling of the breakdown diagram, i. e., AE0K(CH3CO+)=10.89±0.01 eV (including a reverse barrier of ~0.19 eV) and AE0K(CHO+)=11.54±0.05 eV. In addition, the dissociation mechanisms of CH3CHO+ including statistical dissociation, direct bond breaking and isomerization are discussed with the support of the calculated dissociation limits and transition state energies.

Perturbative effects on the optical extinction of GaN/AlN spherical QD in 0–0.5 eV range

Perturbative effects on the optical extinction of GaN/AlN spherical QD in 0–0.5 eV range

High‐resolution x‐ray emission spectrometry in the lithium K range with a reflection zone plate spectrometer

AbstractImplementing a newly developed spectrometer for the soft x‐ray range of (35–130) eV based on reflection zone plates was successfully accomplished on an electron probe microanalyzer. In this context, we present the first spectra acquired using this setup, including those of elements such as Be (Kα), C (Kα), Mg (L2,3), Al (L2,3), and Si (L2,3). We have also conducted an analysis of several lithium compounds and measured the emission of Li Kα from metallic Li, LiF, and LiNbO3. Some of the results were compared with density functional theory calculations. The spectrum obtained for the lithium‐bearing mineral amblygonite Li0.75Na0.25Al(PO4)F0.75(OH)0.25 is chosen to discuss some of the challenges faced.

Evaluation of the X-ray/EUV Nanolithography Facility at AS through wavefront propagation simulations.

Synchrotron light sources can provide the required spatial coherence, stability and control to support the development of advanced lithography at the extreme ultraviolet and soft X-ray wavelengths that are relevant to current and future fabricating technologies. Here an evaluation of the optical performance of thesoft X-ray (SXR) beamline of the Australian Synchrotron (AS) and its suitability for developing interference lithography using radiation in the 91.8 eV (13.5 nm) to 300 eV (4.13 nm) range are presented. A comprehensive physical optics model of the APPLE-II undulator source and SXR beamline was constructed to simulate the properties of the illumination at the proposed location of a photomask, as a function of photon energy, collimation and monochromator parameters. The model is validated using a combination of experimental measurements of the photon intensity distribution of the undulator harmonics. It is shown that the undulator harmonics intensity ratio can be accurately measured using an imaging detector and controlled using beamline optics. Finally, the photomask geometric constraints and achievable performance for the limiting case of fully spatially coherent illumination are evaluated.

Predictions from scoto-seesaw with A4 modular symmetry

This paper's novelty lies in introducing a hybrid scoto-seesaw model rooted in A4 discrete modular symmetry leading to several interesting phenomenological implications. The scoto-seesaw framework leads to generation of one mass square difference (Δmatm2) using the type-I seesaw mechanism at the tree level. Additionally, the scotogenic contribution is vital in obtaining the other mass square difference (Δmsol2) at the loop level, thus providing a clear interpretation of the two different mass square differences. The non-trivial transformation of Yukawa couplings under the A4 modular symmetry helps to explore neutrino phenomenology with a specific flavor structure of the mass matrix. In addition to predictions for neutrino mass ordering, mixing angles and CP phases, this setup leads to precise predictions for ∑mi as well as |mee|. In particular, the model predicts ∑mi∈(0.073,0.097) eV and |mee|∈(3.15,6.66)×10−3 eV range; within reach of upcoming experiments. Furthermore, our model is also promising for addressing lepton flavor violations, i.e., ℓα→ℓβγ, ℓα→3ℓβ and μ−e conversion rates while staying within the realm of current experimental limits.

Influence of PVP on the properties of solvothermally synthesized famatinite nanoparticles: Structural, morphological and optical insights

Famatinite (Cu3SbS4) nanoparticles were synthesized through a solvothermal approach using various polyvinylpyrrolidone (PVP) ratios as a capping agent with a binary solvent of ethylene glycol and water in equal parts. Incremental additions of PVP, ranging from 0 to 1.5 g, exerted significant influence on the material's characteristics. Through comprehensive analysis involving X-ray diffraction, Raman spectroscopy, Scanning electron microscopy (SEM) with Energy dispersive spectrometer (EDS), and UV diffuse reflectance spectroscopy, critical insights were obtained. XRD analysis confirmed the tetragonal crystal structure and revealed reduced crystallite sizes due to the incorporation of PVP. Raman spectroscopy validated the presence of pure famatinite phase with 0.5 g and 1.0 g PVP. SEM analysis uniformly depicted a spherical morphology in all samples, emphasizing PVP's role in mitigating nanoparticle agglomeration. UV diffuse reflectance spectroscopy disclosed direct bandgaps falling within the 0.88 – 0.97 eV range. The collective findings highlighted the substantial impact of PVP in the binary solvent on the structural, morphological, and optical properties of Cu3SbS4 nanoparticles. These results underscore the potential application of these tailored nanoparticles as promising candidates for advanced photovoltaic absorber materials.

High-Efficiency Coupling of Free Electrons to Sub-λ3 Modal Volume, High-Q Photonic Cavities.

We report on the design, realization, and experimental investigation by spatially resolved monochromated electron energy loss spectroscopy (EELS) of high-quality-factor cavities with modal volumes smaller than λ3, with λ being the free-space wavelength of light. The cavities are based on a slot defect in a 2D photonic crystal slab made up of silicon. They are optimized for high coupling of electrons accelerated to 100 kV to quasi-transverse electrical modes polarized along the slot direction. We studied the cavities in two geometries and took advantage of the deep sub-optical wavelength spatial resolution of the electron microscope and high spectral resolution of the monochromator to comprehensively describe the optical excitations of the slab. The first geometry, for which the cavities have been designed, corresponds to an electron beam traveling along the slot direction. The second consists of the electron beam traveling perpendicular to the slab. In both cases, a large series of modes is identified. The dielectric slot mode energies are measured to be in the 0.8-0.85 eV range, as per design, and surrounded by two bands of dielectric and air modes of the photonic structure. The dielectric even slot modes, to which the cavity mode belongs, are highly coupled to the electrons with up to 3.2% probability of creating a slot photon per incident electron. Although the experimental spectral resolution (around 30 meV) alone does not allow to disentangle cavity photons from other slot photons, the excellent agreement between the experiments and finite-difference time-domain simulations allows us to deduce that among the photons created in the slot, around 30% are stored in the cavity mode. A systematic study of the energy and coupling strength as a function of the photonic band gap parameters permits us to foresee an increase of coupling strength by fine-tuning phase-matching. Our work demonstrates free electron coupling to high-quality-factor cavities with low mode densities and sub-λ3 modal volumes, making it an excellent candidate for applications such as quantum nano-optics with free electrons.

Temperature- and pressure-dependent luminescence properties of K3AlF6: Cr3+ phosphor

Temperature and pressure are two effective methods to tune the structure and luminescence properties of phosphors. In this study, tetragonal K3AlF6: Cr3+ phosphors were synthesized through the solid-state method. Its structure stability and luminescence property were in situ studied under temperature and pressure using differential scanning calorimetry (DSC), Raman, and photoluminescence spectra. At ambient conditions, one broadband emission presented in the 1.3–1.9 eV range due to the 4T2→4A2 transition. Three phase transitions presented with increasing temperature to 400 °C, but no much change was observed for its luminescence property. In contrast, its structure was stable during compression, and no phase transition was observed up to 26.1 GPa. Furthermore, the crystal field around Cr3+ was enhanced under pressure, leading to its luminescence changing from broad 4T2→4A2 emission to narrow 2E→4A2 emission above 4.2 GPa. It was suggested that pressure was more effective for K3AlF6:5%Cr3+ phosphor. This result provides one effective method to modulate the luminescence property of Cr3+.

θ23 Octant sensitivity in presence of light sterile and active ν and [formula omitted] oscillations using beamline experiments

We examine the octant sensitivity of the long-baseline neutrino oscillation experiments in view of light sterile neutrino flavors with masses in the 1 eV range. Considering the active-sterile mixing, we explore the possible preferred running modes either neutrino or anti-neutrino for a long-baseline experiment to avoid the octant degeneracy and will show the θ23 sensitivity for different values of active and sterile neutrino phase angles. We simulated different Long baseline experiments for the different possible combinations of mixing angles and phases and will show whether an experiment can probe the right octant in presence of sterile neutrino by choosing the suitable beam either in neutrino or antineutrino running mode.

Experimental characterization of SiCH+via single-photon ionization of gas-phase SiCH.

SiCH and its cation have consistently emerged as predicted species in models of silicon chemistry within the interstellar medium, although they remain unobserved in space. Hindered by their intrinsic instability, no spectroscopic insights have been gleaned concerning the SiCH+ cation. In this study, we present experimental measurements on the SiCH+ cation through single-photon ionization spectroscopy of the SiCH radical within the 8.0-11.0eV range. Gas-phase SiCH radicals were generated through chemical reactions involving CHx (x = 0-3) and SiHy (y = 0-3) within a microwave discharge flow-tube reactor. Employing a double imaging photoelectron/photoion coincidence spectrometer on the DESIRS beamline at the SOLEIL synchrotron, we recorded mass-selected ion yield and photoelectron spectra. From the analysis of the photoelectron spectrum supported by abinitio calculations and Franck-Condon simulations, the adiabatic ionization energies for the transitions from the X2Π ground electronic state of SiCH toward the X+3Σ- and A+3Π electronic states of SiCH+ have been derived [8.935(6) and 10.664(6) eV, respectively, without spin-orbit correction]. The contribution from the less stable isomer HSiC has been explored in our analysis and ruled out in our experiments.

Effects of Electron-Withdrawing Strengths of the Substituents on the Properties of 4-(Carbazolyl-R-benzoyl)-5-CF3-1H-1,2,3-triazole Derivatives as Blue Emitters for Doping-Free Electroluminescence Devices.

The synthesis of four 4-(carbazolyl-R-benzoyl)-5-CF3-1H-1,2,3-triazoles with extra groups ((3-methyl)-phenyl-, 4-fluorophenyl-, quinolinyl-, or (3-trifluoromethyl)-phenyl-) in the acceptor fragment has been reported. The effects of substituents with different electron-withdrawing strengths on the thermal, electrochemical, photophysical, and electroluminescence properties of the synthesized compounds are discussed. The results of X-ray analyses and density functional theory (DFT) calculations support unusual molecular packing and electronic properties. The compounds are capable of glass formation with glass transition temperatures ranging from 54-84 °C. Ionization potentials of the compounds are in the range of 5.98-6.22 eV and electron affinities range from 3.09 to 3.35 eV. Under ultraviolet excitation, the neat films of the compounds exhibit blue emission with photoluminescence quantum yields ranging from 18 to 27%. The films of selected compounds are used for the preparation of host-free light-emitting layers of organic light-emitting diodes with very simple device structures and an external quantum efficiency of 4.6%.