Line Shape Research Articles

Ultrafast, Fano resonant colorimetric sensor with high chromaticity beyond standard RGB

Fast-responsive colorimetric sensors with a wide color gamut have garnered significant attention for real-time atmospheric monitoring observable to the naked eye. Although swelling medium-based Fabry–Perot cavities, which enable linear resonance shifts with high Q-factors, have been widely suggested, they face limitations such as a restricted color gamut within standard RGB due to subtractive colors and slow response times caused by the top layer blocking, delaying the swelling medium’s equilibrium time. Here, we present two-dimensionally nanostructured Fano resonant colorimetric sensors using a swelling medium with significantly improved responsiveness and color representation beyond standard RGB. The nanostructured Fano resonator is elaborately designed to transform the spectral line shape into a Lorentz state in terms of reflectance, resulting in additive color through controlled coupling parameters of the resonator systems. In addition, the nanostructuring of the surface provides direct channels to water vapors, ensuring fast and strong interaction with the swelling medium. Consequently, the fabricated sensor exhibits a wide color gamut, covering 141% of standard RGB and 105% of Adobe RGB, and demonstrates rapid responsiveness with response and recovery times of 287 ms and 87 ms, respectively.

Valence photoelectron spectra of aminobenzoic acid molecules: a combined theoretical and experimental study

Abstract The valence photoelectron spectra (PES) of gas-phase aminobenzoic acids (meta-, ortho- and para-isomers) were measured using synchrotron radiation and calculated from first principles using Density Functional Theory (DFT) with popular hybrid exchange-correlation functionals and many-body perturbation theory using the perturbative one-shot (G0W0) and eigenvalue self-consistent (GnW0) approaches within the GW approximation. The vibrational structures and line shapes found in the PES were modeled using Time-Dependent DFT. Theory can reproduce the experimental results very well. The photoelectron-photoion coincidence spectra of the ortho- and para-isomers were also measured. They reveal interesting differences in the fragmentation patterns and the influence of metastable states at the onset of fragmentation.

Non-resonant background removal in broadband CARS microscopy using deep-learning algorithms

Broadband Coherent anti-Stokes Raman (BCARS) microscopy is an imaging technique that can acquire full Raman spectra (400–3200 cm−1) of biological samples within a few milliseconds. However, the CARS signal suffers from an undesired non-resonant background (NRB), deriving from four-wave-mixing processes, which distorts the peak line shapes and reduces the chemical contrast. Traditionally, the NRB is removed using numerical algorithms that require expert users and knowledge of the NRB spectral profile. Recently, deep-learning models proved to be powerful tools for unsupervised automation and acceleration of NRB removal. Here, we thoroughly review the existing NRB removal deep-learning models (SpecNet, VECTOR, LSTM, Bi-LSTM) and present two novel architectures. The first one combines convolutional layers with Gated Recurrent Units (CNN + GRU); the second one is a Generative Adversarial Network (GAN) that trains an encoder-decoder network and an adversarial convolutional neural network. We also introduce an improved training dataset, generalized on different BCARS experimental configurations. We compare the performances of all these networks on test and experimental data, using them in the pipeline for spectral unmixing of BCARS images. Our analyses show that CNN + GRU and VECTOR are the networks giving the highest accuracy, GAN is the one that predicts the highest number of true positive peaks in experimental data, whereas GAN and VECTOR are the most suitable ones for real-time processing of BCARS images.

IGRINS Observations of WASP-127 b: H2O, CO, and Super-solar Atmospheric Metallicity in the Inflated Sub-Saturn

High-resolution spectroscopy of exoplanet atmospheres provides insights into their composition and dynamics from the resolved line shape and depth of thousands of spectral lines. WASP-127 b is an extremely inflated sub-Saturn (R p = 1.311 R Jup, M p = 0.16 M Jup) with previously reported detections of H2O and CO2. However, the seeming absence of the primary carbon reservoir expected at WASP-127 b temperatures (T eq ∼1400 K) from chemical equilibrium, CO, posed a mystery. In this manuscript, we present the analysis of high-resolution observations of WASP-127 b with the Immersion Grating Infrared Spectrometer on Gemini South. We confirm the presence of H2O (8.67σ) and report the detection of CO (4.34σ). Additionally, we conduct a suite of Bayesian retrieval analyses covering a hierarchy of model complexity and self-consistency. When freely fitting for the molecular gas volume mixing ratios, we obtain super-solar metal enrichment for H2O abundance of log10 X H2O = −1.23 −0.49+0.29 and a lower limit on the CO abundance of log10 X CO ≥–2.20 at 2σ confidence. We also report tentative evidence of photochemistry in WASP-127 b based upon the indicative depletion of H2S. This is also supported by the data preferring models with photochemistry over free-chemistry and thermochemistry. The overall analysis implies a super-solar (∼39× Solar; [M/H] = 1.59−0.30+0.30 ) metallicity for the atmosphere of WASP-127 b and an upper limit on its atmospheric C/O ratio as < 0.68.

Correction of systematic low-frequency time delay errors in THz systems by absorption line shape optimization

Time-domain terahertz systems can face challenges due to systematic delay errors introduced by the employed delay mechanism, potentially leading to poor data quality. This article introduces a procedure to address these challenges by correcting low-frequency systematic errors that distort the acquired spectra and incorrectly diminish narrow absorption features. Our procedure solves an optimization problem aiming to find the corrected time-signal pairs that maximize the depth of narrow absorption features, and we highlight how the flexibility of the procedure, in principle, allows for correcting error profiles of arbitrary shape. We demonstrate the effectiveness of this approach through experiments using both simulated and experimentally recorded THz data, and the results show significant improvements in spectral accuracy. We believe this can pave the way for more reliable and precise terahertz spectroscopy measurements, enhancing its applications in various scientific and industrial fields.

Effect of FBG Fiber Dosimeter Division in Sensing Capability for Low Radiation Doses

ر A fiber Bragg grating (FBG) as a dosimeter is developed in this simulation study (based on Optisystem 21 software) by dividing its region into five individual regions. The division includes the same properties for all regions, which is a standard SiO2 optical fiber material. In dosimeters, it is convenient to introduce dopants to increase the fiber sensitivity. The new design accepts dopants and can work without such a dopant. Measurements for sensing deflected signals from the FBG sensor confirmed increased sensitivity for low-rate radiation doses in comparison to one bulk region in a traditional fiber dosimeter. The sensitivity of this dosimeter is based on both the FWHM line shape function and the amplitude of the deflected signals. The FBG dosimeter sensor can respond to low-dose radiation in a noticeable manner according to the type of applied simulated effect. Dosimeter body division for multi-regions gives rise to sensitivity in comparison to the traditional bulk region. The measured FWHM from the line-shape function for overall observed signals fluctuates from 0.374 MHz under applied temperature, stress x, y, z, and strain to 0.358, 0.373, 0.3733, 0.368, and 0.3737 MHz, respectively. While this range follows different fitting functions: Sin, Exp.Decay, SinSqu., Exp.Decay3, and GaussAmpl. For last effects, according to measured effect. The same measurements were carried out for signal amplitude variation, with these effects giving a variety of relationships indicating their existing contribution. Results confirmed an efficient tool for use in sensing for low x-ray and gamma ray radiation dose applications versus traditional bulk FBG sensor type.

Low-frequency broadband acoustic ventilation meta-barrier based on consecutive multiple Fano resonances

Acoustic metamaterials utilizing Fano resonance provide the possibility of simultaneous airborne sound insulation and high-performance ventilation. However, the ultra-sharp line shape results in a narrow working frequency range, which is still insufficient for practical applications. In this work, we propose a low-frequency acoustic meta-barrier supporting consecutive multiple Fano resonances (CMFRs) with broadband (~75%) capability, efficient ventilation, and ultra-thin thickness, etc. The barrier features a binary metastructure, incorporating a chiral space coiling tunnel and a hollow pipe in a planar arrangement. This configuration offers discrete and continuous states within the composed Fano system, corresponding to the tunnel and the pipe, respectively. By means of superposition of multi-order Fano resonance modes, the destructive interference between the discrete and continuum states keeps effective in a broad frequency range, while simultaneously achieving high air permeability. Numerical results of transmission loss show significant attenuation of incident energy in the range of 479-1032 Hz. Our work lays the groundwork for next generation of Fano-based metamaterial applications, with far-reaching implications for noise control and related fields.

On-orbit spectral characteristics analysis of the greenhouse gases monitoring instrument: Spectral wavelength stability and instrumental line shape stability

The Greenhouse Gases Monitoring Instrument (GMI) is a carbon satellite payload developed based on the principle of spatial heterodyne spectroscopy technology, which is specifically designed for the global analysis of greenhouse gases (CO2 and CH4) “sources” and “sinks”. Due to the low concentration and minimal gradient variations of CO2 and CH4 in the atmosphere, higher precision is required for their retrieval. Vibrations during satellite launch and harsh space environments during on-orbit operation may cause changes in the performance of various payload components, resulting in decreased quality of spectrum products and retrieval precision. This paper proposes a set of on-orbit spectral characteristic evaluation methods tailored for the GMI to monitor the quality of its spectrum. It also develops an adaptive blind pixel detection and correction algorithm specifically for the GMI and optimizes the interferogram processing flow algorithm. On-orbit spectral calibration is performed, and methods to evaluate spectral characteristic parameters have been established. The analysis focuses on the variations of the spectral characteristics in the CO2-1 bands (1.575 μm) of the GMI during one-year of on-orbit calibration spectrum. The initial spectral wavenumber offset is 0.133 cm−1 after entering orbit, and the average spectral wavenumber offset is 0.0313 cm−1 during stable operation. During the one-year period, the maximum variation in the instrumental line shape function of the GMI is 0.006 cm−1. The observed spectrum obtained in nadir observation mode, underwent to accuracy verification. The results demonstrate consistency between the spectral peak wavenumbers and the relative trend changes of the observed and theoretical spectrum, with an average relative residual of 0.987%.

Investigating the consistency of the shape and flux of X-ray reflection spectra in the hard state with an accretion disk reaching close to the black hole

The observed spectra from black hole (BH) X-ray binaries (XRBs) typically consist of two primary components. A multitemperature blackbody originating from the accretion disk in the soft X-ray, and a power law-like component in the hard X-ray, due to the Comptonization of soft photons by the hot corona. The illumination of the disk by the corona gives rise to another key component known as reflection. A fraction of the incident hard X-ray radiation is naturally absorbed and re-emitted as a blackbody at lower energies and referred to as the ``reprocessed blackbody''. For densities relevant to XRBs and typical ionization values, the reprocessed blackbody may become significant in the soft X-ray region (approximately 0.1-1.0 keV) and should be noticeable in the observed spectra as a consequence of reflection. The absence of any blackbody component in the low/hard state of a BH XRB may not be consistent with the reflection of highly irradiating flux, observed as a power law from an appropriately dense disk of XRB. We focus on the low/hard state of the BH XRB MAXI J1820+070. In contrast to previous works, we simultaneously fit the shape and flux of the reflection spectra. This allowed us to estimate the correct density and ionization of the slab as well as the corresponding reprocessed blackbody. Our fitting of the representative observation of the BH XRB low/hard state suggests that the disk may, in principle, extend very close to the BH, even though the reprocessed thermal emission (due to disk illumination) remains cold (and thus low) enough to be consistent with the data in contrast to the results of a previous study. The inner reflection component is highly ionized and its fit is primarily driven by its contribution to the continuum, rather than by the shape of the relativistic iron line. The reprocessed blackbody cannot help determine whether the disk extends close to the BH or not in the hard state. For this specific observation, the flux in inner reflection component turns out to be quite low with respect to the outer reflection or power law. The outflowing slab corona covering the inner region of the disk could be the plausible geometry of the source, with the underlying disk approaching near to the BH.

Comparison of non-Hermitian three-dimensional quantization line shape in ion-doped microcrystals

In this paper, we studied the relationship between non-Hermitian quantization and line shape in ion-doped microcrystals. We depict the Eu3+: BiPO4 exhibited a broad line shape in contrast to Eu3+: NaYF4, and Dy3+: BiPO4. The line shape is controlled through angle quantization (constructive and destructive quantization) and phonon detuning effects. The Eu3+: BiPO4 and Eu3+: NaYF4 exhibits less sensitivity to line shape as compared to Dy3+: BiPO4. The more sensitivity of Dy3+: BiPO4 is supported by the presence of multiple levels, which disrupt the transition from destructive (out of phase de-phase rate Г) to constructive (in phase dressing Rabi frequency G) three-dimensional quantization. The line shape evolution from out of phase to in phase could be tuned by changing time gate position (the ratio of G and Г regulated largely) and time gate width (the ratio of G and Г regulated on a small scale). We observed that the line shape ratio in Dy3+: BiPO4 is significantly smallest (13.63 %) as compared to Eu3+: NaYF4 (61.29 %) and Eu3+: BiPO4 (85.18 %). Furthermore, the angle quantization affects the line shape evolution of fluorescence and Autler-Townes. However, spontaneous four-wave mixing line shape evolution can not be controlled by the angle quantization. Such results hold significant potential for applications in long band stop filter.

In-situ relative calibration of Bragg crystals with Monte Carlo line ratio analysis.

X-ray line emission spectra can thoroughly characterize hot plasmas, especially when line shapes and ratios convey distinct aspects of plasma conditions. However, the high spectral resolution required for observing line shapes is often at odds with the large bandwidth required to observe many line ratios across a wide spectral range. One strategy to obtain high spectral resolution over a wide bandwidth is to use multiple crystals with calibrated reflectivity so that line intensities across different crystals can be compared. Here, we explore the use of a low-resolution, wide-bandwidth mica survey spectrometer to infer relative reflectivity of two high-resolution, narrow-bandwidth quartz crystals. A Monte Carlo error analysis determines comparable x-ray line ratios measured from both spectrometers, resulting in an in situ calibration factor and associated uncertainty for the relative reflectivity of the high-resolution crystals.

Influence of acoustic modes on resonance properties of a quartz tuning fork immersed in superfluid 4He and liquid mixtures 3He–4He

The oscillating quartz tuning fork method has been used to study resonance phenomena in experimental cells of different sizes filled with superfluid 4He and concentrated liquid mixtures of 3He–4He. An analysis of the temperature dependence of the resonance frequencies of the tuning forks showed that in a number of cases, the incompressible fluid model is not sufficient to interpret the experimental results and that acoustic processes in the cell should be taken into account. The frequencies of the resonances of the first sound in cylindrical geometry are estimated and their influence on the resonant frequencies of the tuning fork is shown, which can lead to a distortion of the shape of the resonant line. A comparison is made between experimental results for superfluid 4He and mixtures of 3He-4He with light isotope concentrations of 5% and 15%. It is shown that, in contrast to pure helium, the model of a viscous incompressible fluid cannot be applied to mixtures, even in the absence of first acoustic resonances. This can be explained by the fact that, when studying concentrated solutions, the excitation of the second sound along with the first can have a noticeable effect on the resonance characteristics of the tuning fork.

AGN STORM 2. IX. Studying the Dynamics of the Ionized Obscurer in Mrk 817 with High-resolution X-Ray Spectroscopy

We present the results of the XMM-Newton and NuSTAR observations taken as part of the ongoing, intensive multiwavelength monitoring program of the Seyfert 1 galaxy Mrk 817 by the AGN Space Telescope and Optical Reverberation Mapping 2 (AGN STORM 2) Project. The campaign revealed an unexpected and transient obscuring outflow, never before seen in this source. Of our four XMM-Newton/NuSTAR epochs, one fortuitously taken during a bright X-ray state has strong narrow absorption lines in the high-resolution grating spectra. From these absorption features, we determine that the obscurer is in fact a multiphase ionized wind with an outflow velocity of ∼5200 km s−1, and for the first time find evidence for a lower ionization component with the same velocity observed in absorption features in the contemporaneous Hubble Space Telescope spectra. This indicates that the UV absorption troughs may be due to dense clumps embedded in diffuse, higher ionization gas responsible for the X-ray absorption lines of the same velocity. We observe variability in the shape of the absorption lines on timescales of hours, placing the variable component at roughly 1000 R g if attributed to transverse motion along the line of sight. This estimate aligns with independent UV measurements of the distance to the obscurer suggesting an accretion disk wind at the inner broad line region. We estimate that it takes roughly 200 days for the outflow to travel from the disk to our line of sight, consistent with the timescale of the outflow's column density variations throughout the campaign.

Plasmonic MIM waveguide based FR sensors for refractive index sensing of human hemoglobin

Fano resonance (FR) is a universal phenomenon that is used to attain electromagnetic-induced transparency (EIT), high absorption and sensitivity, and low-power photonic devices. This work presents dual FR refractive index (RI) sensor models on a plasmonic metal-insulator-metal (MIM) waveguide system. The FR phenomenon is attained by including circular and elliptic nanorod defects in the bus waveguides. The resonances originate from the defect's narrow discreteness and the rectangular resonator's broad state. Analytical methods such as finite difference time domain (FDTD) and multimode interference coupled mode theory are adopted to analyze the FRs. The shapes of the Fano line and resonance peak amplitude can be tuned independently by controlling the diameter of the defects, the separation between the defects, and the coupling (between the resonator and the bus waveguide) distance. Moreover, the proposed structures detect the RI (human hemoglobin) variation in the bus waveguide and resonator. The obtained results with circular nanorod defect verify the autocorrelation coefficient of 99.92 %, ensuring the device's linearity and high performance. However, an autocorrelation of 99.7 % is attained by using two elliptic nanorod defects.

X-ray photoelectron and NEXAFS spectroscopy of thionated uracils in the gas phase.

We present a comprehensive, combined experimental and theoretical study of the core-level photoelectron and near-edge x-ray absorption fine structure (NEXAFS) spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil at the oxygen 1s, nitrogen 1s, carbon 1s, and the sulfur 2s and 2p edges. X-ray photoelectron spectra were calculated using equation-of-motion coupled-cluster theory (EOM-CCSD), and NEXAFS spectra were calculated using algebraic diagrammatic construction and EOM-CCSD. For the main peaks at O and N 1s as well as the S 2s edge, we find a single photoline. The S 2p spectra show a spin-orbit splitting of 1.2eV with an asymmetric vibrational line shape. We also resolve the correlation satellites of these photolines. For the carbon 1s photoelectrons, we observe a splitting on the eV scale, which we can unanimously attribute to specific sites. In the NEXAFS spectra, we see very isolated pre-edge features at the oxygen 1s edge; the nitrogen edge, however, is very complex, in contrast to the XPS findings. The C 1s edge NEXAFS spectrum shows site-specific splitting. The sulfur 2s and 2p spectra are dominated by two strong pre-edge transitions. The S 2p spectra show again the spin-orbit splitting of 1.2eV.

Line-shape parameters of the oxygen first rotational triplet

A lines shape of the first triplet of rotational band of oxygen molecule was studied beyond the Voigt profile in the framework of the quadratic approximation of speed dependence of collision relaxation rate. Recordings of the lines broadened by O2 and N2 were obtained at room temperature using two fundamentally different spectrometers, in particular, a video spectrometer and a spectrometer with radio-acoustic detection of absorption. A set of line-shape parameters was determined based on the line recording analysis. Data accuracy and reliability was evaluated from a comparative analysis of the parameters obtained from different techniques and with previous data.

Analyzing Stellar Spectra for PRV by Accurate Modeling and Retrieval of Telluric Absorption Features

Ground-based Precision Radial Velocity (PRV) measurements are inevitably impeded by contamination from telluric absorption features, particularly in the infrared region. Thus, it is crucial to improve modeling of the telluric absorption features down to the spectral noise level. As part of the efforts towards improved PRV measurements, we have taken an existing atmospheric trace gas retrieval algorithm (GFIT) and have successfully adapted it to fit the telluric absorption features in stellar spectra down to the spectral noise level (typically ∼1%). We have established a stellar spectral fitting processing pipeline, Stellar-GFIT, to analyze a series of stellar spectra observed by two spectrographs, PARVI (1.1–1.76 μm) commissioned at the Palomar Observatory (Palomar Mountain, CA) and iSHELL (1–5 μm) deployed on the IRTF (Mauna Kea, HI). For this, we have (1) implemented a Gaussian instrumental line shape function, (2) generated atmospheric models (consisting of temperature, pressure, and volume mixing ratios of all the known trace gases) for the particular observation sites and times, (3) employed the most up-to-date spectroscopic parameters in the target spectral regions, and finally (4) developed a series of spectral fitting intervals of ∼60 cm−1 width, i.e., micro-windows, customized to the individual orders of each spectrograph. Stellar-GFIT is also capable of handling non-telluric features, such as transitions from a gas cell placed in the starlight beam and stellar features if a model spectrum template is available for the target star. We present spectrum fits from the observations of various target stars and discuss the performance and advantages of our novel approach. One of the major strengths of Stellar-GFIT is an ability to adjust the abundance of atmospheric trace gases simultaneously with determining the stellar doppler shift, mitigating any adverse impacts of short-timescale variations of water vapor.

Quantifying spin-torque efficiency and magnetoresistance coefficient by microwave photoresistance in spin-torque ferromagnetic resonance

During the spin-torque ferromagnetic resonance (ST-FMR) measurement, the magnetization precession driven by the microwave field yields the radio frequency (rf) oscillating magnetoresistance and its time-averaged change (photoresistance). Here, we find that the strength of photoresistance can be directly determined by using dc bias current Idc modulating the symmetric component VS of the ST-FMR voltage spectrum. By measuring the angular dependence of photoresistance, we can quantify the in-plane and out-of-plane precession angles of ST-FMR, the actual rf current distribution in the magnetic and non-magnetic sublayers, and the magnitude of spin-torque and various magnetoresistance coefficients. These experimentally obtained values and analysis methods can more accurately quantify the spin-torque efficiency of both in-plane and out-of-plane spin polarizations by self-consistent calculation of the precession angle without harsh assumptions. And, we further confirm this universal method in three spintronic systems: the prototypical Pt/Py bilayer with anisotropic magnetoresistance (AMR), Py/Cu/Co20Tb80 spin valve trilayer with AMR and giant magnetoresistance, and [Co/Ni]3/Co/Pt multilayer with AMR and anisotropic interface magnetoresistance. This method eliminates potential deviation in calculating spin-torque efficiency by previously reported line shape analyzation and linewidth modulation methods of the ST-FMR technique and significantly extends its application range in characterizing spintronic materials and nanodevices.

Intellectual fitting of hard X-ray resonant reflectance maps obtained for low-contrast oxide multilayers across L absorption edges of Eu and Gd

The present work describes an intellectual computational approach to X-ray resonant reflectometry – a synchrotron-based method aimed at non-destructive characterization of epitaxial nanoscale multilayers with low optical contrast between the sublayer materials. Resonant reflectance from specially designed bilayer structures was measured as a function of grazing angle and photon energy across the L absorption edges of rare earth elements and then modeled with the aid of a specially developed software utilizing OpenCL high speed computations performed on a graphical processing unit. The map fitting was carried out in the blind mode in which the spectral shapes of the optical constants of the sublayers were reconstructed by the fitting routine without initial knowledge of the chemical composition and without using any reference spectra. The model uses stepped Lorentzian line shape for the imaginary part of the scattering length density and the Kramers-Kronig consistent line shape for the corresponding real part. Epitaxially grown Eu2O3 / Gd3Ga5O12 bilayers were used as a test bench system to demonstrate the benefits of the proposed 2D mapping technique over conventional X-ray reflectometry. To increase reliability, the map fitting was carried out simultaneously at the absorption edges of two different chemical elements. The derived shapes and positions of the absorption peaks were used to uniquely identify rare earth elements within the corresponding sublayers and provide information on their oxidation states. The method was experimentally tested on the bilayers having different material order to show that not only the chemical composition but also the layer sequence can be effectively reconstructed in the automatic way from the 2D resonant reflectance maps.

Numerical modeling of partially coherent anti-Stokes Raman scattering (pCARS) in transparent molecular liquids

In this study, the key characteristics of the so called partially coherent anti-Stokes Raman scattering (pCARS) are numerically modeled in order to explain the physical nature of this nonlinear Raman effect. The experimental data obtained by Ishibashi and Hamaguchi, the pioneer researchers of pCARS, are simulated by use of analytical description different from their original physical interpretation. The numerical results for the spatial distribution of the anti-Stokes Raman signal in pCARS, the shape of the pCARS spectral line, and the dependence of the pCARS signal intensity on the laser pulse intensity, as well as on the concentration and temperature of the Raman medium, all matching the pCARS experimental data, indicate a complex parametric-stimulated mechanism of generation/amplification of pCARS. The differences of pCARS from ordinary CARS (fully coherent process of Raman scattering) are highlighted.