Line Shape Function Research Articles

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.

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%.

Thermal radiation at high-temperature and high-pressure conditions: Validation of HITEMP-2010 for carbon dioxide

Line-by-line models based on spectroscopic databases are powerful tools for the generation of accurate gas absorption spectra but still require validation for high-temperature and high-pressure conditions. Therefore, this study carried out spectral transmissivity measurements of CO2/N2 mixtures at temperatures of approximately 773K and 1273K and pressures between 1bar and 60bar. The measurement data was obtained in a spectral range from 1900cm−1 to 6600cm−1 at a spectral resolution of 1cm−1 and was compared with line-by-line predictions. The comparisons show that the absorption spectra of CO2 can be predicted for high-temperature and high-pressure conditions with good accuracy if the line-by-line calculations are performed using modified line profiles and the HITEMP-2010 database. In comparison with standard line-shape functions, both the Voigt line-shape function combined with the cut-off criterion of Alberti et al. (Combust. Flame 162 (2015) 597–612) and the Price line-shape function modified with one of the two ξ corrections of Westlye et al. (J. Quant. Spectrosc. Radiat. Transfer 302 (2023) 108555; J. Quant. Spectrosc. Radiat. Transfer 280 (2022) 108089) provided significantly superior predictions. However, deficiencies of the cut-off criterion of Alberti et al. become clear in the transmissivity predictions of the right wings of the 4.3µm band and the 2.7µm band. The Price line-shape function combined with the first ξ correction of Westlye et al. was able to overcome these erroneous predictions of the wings, while the Price line-shape function modified with the second ξ correction of Westlye et al. only proved superior for gas mixtures with 20% CO2 and 80% N2 (in mole fractions).

Research on Calculation Method of On-Orbit Instrumental Line Shape Function for the Greenhouse Gases Monitoring Instrument on the GaoFen-5B Satellite

The Greenhouse Gases Monitoring Instrument is based on the spectroscopic principle of spatial heterodyne spectroscopy technology and has the characteristics of no moving parts, a hyperspectral resolution, and a large luminous flux. The instrumental line shape function is one of the most important parameters characterizing the features of the instrument, and it plays a vital role in the system error analysis of the instrument’s measurements. To accurately obtain the instrumental line shape function of a spatial heterodyne spectrometer during the on-orbit period and improve the accuracy of gas concentration retrieval, this study develops a method to model and characterize the characteristics of the instrumental line shape function, including modulation loss and phase error. This study employs the solar calibration spectrum in the 1.568–1.583 μm bands to conduct iterative calculations of the instrumental line shape function error model. After the instrumental line function is updated, the average relative deviation is reduced from 1.83% to 0.756% between the theoretical and measured solar spectra. Additionally, the average relative deviation is reduced from 7.049% to 2.106% between the GMI nadir and theoretical nadir spectra. The findings demonstrate that updating the instrumental line shape function mitigates the impact of variations in the spectrometer’s instrumental line shape due to alterations in the orbital environment. This study offers a dependable reference for both the enhancement and oversight of a spectrometer’s instrumental line shape function, along with an investigation of shifts in instrument parameters.

The Franz–Keldysh effect in the optical absorption spectrum of a TlGaSe2 layered semiconductor caused by charged native defects

The Franz–Keldysh effect in the optical absorption edge of a bulk TlGaSe2 layered semiconductor poled under an external electric field was investigated in the present work. The Franz–Keldysh shift below the optical bandgap absorption region, as well as the quasi-periodic oscillations above the fundamental bandgap of TlGaSe2, were observed. The measured changes in optical light absorption of the TlGaSe2 sample were revealed after poling processing. The poling technique is used to produce the built-in internal electric field within the TlGaSe2 semiconductor. The frozen-in internal electric field in TlGaSe2 was experimentally monitored through changes in the lineshape of the absorption spectra at the fundamental band edge. The observed results are accurately fitted with the theoretical lineshape function of the Franz–Keldysh absorption tail below the bandgap of TlGaSe2 and quasi-periodic oscillations above the bandgap. A good agreement between the theoretical and experimental results was observed. The present study demonstrated that the Franz–Keldysh effect can be used to identify and characterize the localized internal electric fields originating from electrically active native imperfections in the TlGaSe2 crystals.

Manifestation of anharmonicities in terms of Fano scattering and phonon lifetime of scissors modes in α-MoO3.

α-MoO3 exhibits promising potential in the field of infrared detection and thermoelectricity owing to its exceptional characteristics of ultra-low-loss phonon polaritons (PhPs). It is of utmost importance to comprehend the phonon interaction exhibited by α-MoO3 in order to facilitate the advancement of phonon-centric devices. The intriguing applications of α-MoO3 for phonon-centric technology are found to be strongly dependent on scissors Raman modes. In this study, we have investigated the temperature-dependent asymmetric Raman line-shape characteristics of two scissors modes, Ag(1) and B1g(1), in the orthorhombic phase of bulk α-MoO3 within a temperature range spanning from 138 K to 498 K at 633 nm excitation wavelength. The Fano-Raman line-shape function was employed to analyze the asymmetry in terms of electron-phonon coupling strength, which varies from 0.050 to 0.313 and -0.017 to -0.192 for Ag(1) and B1g(1) modes, respectively, with temperature. This asymmetric behavior of Ag(1) and B1g(1) scissors modes are attributed to interference between the electronic energy continuum and discrete TO and LO phonon states, respectively. Therefore, the line-shape asymmetry in two scissors modes with increasing temperature stemming from the Fano resonance is also consistent with a 488 nm excitation wavelength. Additionally, anharmonicity caused by temperature results in redshift, and linewidth broadening of these two scissors modes through cubic-phonon decay has been observed. Moreover, the ultrashort lifetime of these optical phonons diminishes from ∼1.37 ps to ∼0.53 ps with increasing temperature due to the dominance of cubic-phonon decay over quartic-phonon decay. Our findings strongly emphasize the significance of investigating anharmonic interactions with Fano resonance to acquire an extensive comprehension of the vibrational characteristics of α-MoO3 for novel functionalities.

Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation

Spontaneous emission and internal conversion rates are calculated within harmonic approximations and compared to the results obtained within the semi-classical extended thawed Gaussian approximation (ETGA). This is the first application of the ETGA in the calculation of internal conversion and emission rates for real molecular systems, namely, formaldehyde, fluorobenzene, azulene, and a dicyano-squaraine dye. The viability of the models as black-box tools for prediction of spontaneous emission and internal conversion rates is assessed. All calculations were done using a consistent protocol in order to investigate how different methods perform without previous experimental knowledge using density functional theory (DFT) and time-dependent DFT (TD-DFT) with B3LYP, PBE0, ωB97XD, and CAM-B3LYP functionals. Contrasting the results with experimental data shows that there are further improvements required before theoretical predictions of emission and internal conversion rates can be used as reliable indicators for the photo-luminescence properties of molecules. We find that the ETGA performs rather similar to the vertical harmonical model. Including anharmonicities in the calculation of internal conversion rates has a moderate effect on the quantitative results in the studied systems. The emission rates are fairly stable with respect to computational parameters, but the internal conversion rate reveals itself to be highly dependent on the choice of the spectral line shape function, particularly the width of the Lorentzian function, associated with homogeneous broadening.

Fano-resonance-based plasmonic refractive index sensor with high sensitivity for detection of urea

In the recent context of the post-pandemic world, label-free detection has become a crucial technique in various human physiological testing analyses. In this paper, a plasmonic nanosensor is proposed based on a tapered waveguide cavity resonator, which provides label-free detection with high sensitivity for bio-sensing applications. The transmittance curve is studied using the finite difference time domain method. The transmittance curve exhibits dual Fano resonances with the highest sensitivity of 2544.3 nm/RIU. The resultant simulated transmittance values are further validated by comparing them to the theoretical Fano line shape function. Further, the fabrication complexities have been investigated with respect to changes in geometrical parameters such as the change in width of the tapered waveguide and the height of the cavity resonators. Other performance parameters are also calculated such as FOM, Q factor, and detection limit, which come out at values of 40.54RIU−1, 41.7, and 0.024, respectively. Moreover, a biosensing application has been investigated by testing the detection of urea in a human urine sample.

Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach

Quantum dynamics is the natural framework in which accurate simulation of spectroscopy of nonadiabatically coupled molecular systems can be obtained. Even if efficient quantum dynamics approaches have been developed, the number of degrees of freedom that need to be considered in realistic systems is typically too high to explicitly account for all of them. Moreover, in open-quantum systems, a quasi-continuum of low-frequency environment modes need to be included to get a proper description of the spectral bands. Here, we describe an approach to account for a large number of modes, based on their partitioning into two sets: a set of dynamically relevant modes (so-called active modes) that are treated explicitly in quantum dynamics, and a set of modes that are only spectroscopically relevant (so-called spectator modes), treated via analytical line shape functions. Linear and nonlinear spectroscopy for a realistic model system is simulated, providing a clear framework and domain of applicability in which the introduced approach is exact, and assessing the error introduced when such a partitioning is only approximate.

Assessment of the Influence of Instrument Parameters on the Detection Accuracy of Greenhouse-Gases Absorption Spectrometer-2 (GAS-2)

Satellite-based monitoring of atmospheric greenhouse gas (GHG) concentrations has emerged as a prominent and globally recognized field of research. With the imminent launch of the Greenhouse-Gases Absorption Spectrometer-2 (GAS-2) on the FengYun3-H (FY3-H) satellite in 2024, there is a promising prospect for substantial advancements in GHG detection capabilities. Crucially, the accurate acquisition of spectral information by GAS-2 is heavily reliant on its instrument parameters. However, the existing body of research predominantly emphasizes the examination of atmospheric parameters and their impact on GHG detection accuracy, thereby leaving a discernible gap in the comprehensive evaluation of instrument parameters specifically concerning the acquisition of atmospheric greenhouse gas concentration data by GAS-2. To address this knowledge gap, our study employs a radiation transfer model grounded in radiation transfer theory. This comprehensive investigation aims to quantitatively analyze the effects of various instrument parameters, encompassing crucial aspects such as spectral resolution, spectral sampling rate, signal-to-noise ratio, radiometric resolution, and spectral calibration accuracy (including instrument line shape function, central wavelength shift, and spectral resolution broadening). Based on our preliminary findings, it is evident that GAS-2 has the necessary spectral resolution, spectral sampling rate, and signal-to-noise ratio, slightly surpassing existing international instruments and enabling a significant detection accuracy level of 1 part per million (ppm). Moreover, it is essential to recognize the critical impact of instrument spectral calibration accuracy on overall detection precision. Among the five commonly used instrument line shape functions, the sinc function has the least impact on detection accuracy. Additionally, GAS-2’s radiance quantization depth is 14 bits, which is comparable to similar international payloads and maintains a root mean squared error below 0.1 ppm, thus ensuring a high level of precision. This study provides a comprehensive evaluation of the influence of GAS-2’s instrument parameters on detection accuracy, offering valuable insights for the future development of spectral calibration, the optimization of similar payload instrument parameters, and the overall improvement of instrument quantification capabilities.

Research on the Effects of Detector Shape on Spectral Calibration of Infrared Hyperspectral Interferometer Based on Simulation Data

ABSTRACT Infrared hyperspectral instrument is a complex optical instrument. The requirement for the application of the infrared hyperspectral interferometer is fine calibration accuracy. The accuracy of the spectral frequency of the infrared hyperspectral interferometer is a key influencing factor of the radiometric calibration accuracy. In order to meet the quantitative application, the spectral calibration accuracy is generally within 10ppm. For infrared hyperspectral instruments in geostationary orbit, the focal plane has the characteristics of large array and small detector size. When the detector size of an infrared hyperspectral interferometer is in the geostationary orbit whether the detector as a point detector will affect the spectral calibration accuracy. In this paper, we simulate and analyze the influence of the shape of the detector (square and point detector) on the spectral calibration accuracy. This paper first builds an infrared hyperspectral observation and calibration simulation model. The brightness temperature deviation between the calibration spectrum and the input spectrum is close to 0 K, which shows the rationality of building the simulation model. Then, in the process of spectral calibration, two methods, square detectors and point detectors, are adopted, respectively. The spectral calibration of the square detector needs to calculate the line shape function of the instrument according to the detector position. Regarding point detector spectral calibration, this paper proposes a spectral calibration parameter optimization algorithm based on the optimization algorithm, which does not depend on the physical parameters of the instrument, but only uses the observed simulated spectrum and the reference spectrum. The results show that the spectral calibration accuracy of the point detector based on the optimization method can be close to 0ppm, which is consistent with the spectral calibration accuracy of the square detector.

Super-resolution for confocal scanning fluorescence microscopy by rotating line-shape point spread function of super-oscillation technique

Super-resolution for confocal scanning fluorescence microscopy by rotating line-shape point spread function of super-oscillation technique

Version 8 IMK–IAA MIPAS ozone profiles: nominal observation mode

Abstract. A new global O3 data product retrieved from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) spectra with the IMK–IAA MIPAS data processor has been released. These data are based on ESA version 8 recalibrated radiance spectra with improved temporal stability. Changes in the level-2 processing with respect to previous data versions include the following: (1) the retrievals use improved temperature data and thus suffer less from the propagation of related errors. (2) The background continuum is now considered up to 58 km. (3) A priori information is now used to constrain the retrieval of the radiance offset. (4) Water vapour is fitted jointly with ozone to minimize the impact of interfering water lines. (5) A more adequate regularization has been chosen. (6) Ozone absorption lines in the MIPAS A band (685–980 cm−1) are used almost exclusively because of inconsistencies in spectroscopic data in the MIPAS AB band (1010–1180 cm−1). Only at altitudes above 50 km, where A-band ozone lines do not provide sufficient information, are ozone lines in the MIPAS AB band used. (7) Temperature-adjusted climatologies of vibrational temperatures of O3 and CO2 are considered to account for non-local thermodynamic equilibrium radiation. Ozone errors are estimated to be less than 10 % in the altitude range 20–50 km. The error budget is dominated by the spectroscopic errors, followed by the uncertainty of the instrumental line shape function, the gain calibration error, and the spectral noise. The error contribution of interfering gases is almost negligible. The vertical resolution depends on altitude and atmospheric conditions. In 2002–2004 it varies between 2.5 km at the lowest altitudes and 6 km at 70 km, while in 2005–2012 it covers 2 to 5.5 km in the same altitude range. The horizontal smearing in terms of the full width at half maximum of the horizontal component of the two-dimensional averaging kernel matrix is smaller than, or approximately equal to, the distance between two subsequent limb scans at all altitudes. This implies that the horizontal resolution is sampling-limited or optimal, respectively. An additional data version is made available that is free of the formal a priori information and thus more user-friendly for certain applications. Version 8 ozone results show a better consistency between the two MIPAS measurement periods. They seem to be more realistic than preceding data versions in terms of long-term stability, as at least a part of the drift is corrected. Further, the representation of elevated stratopause situations is improved.

Low-temperature vibronic spectroscopy of condensed chromophore exhibiting inhomogeneous distribution of vibrational frequencies in a mixed quantum-classical environment.

This work has been motivated by the recent paper by the author [M. Toutounji, Phys. Chem. Chem. Phys., 2021, 23, 21981] whereby a mixed quantum-classical Liouville equation was used to probe the spectroscopy and dynamics of a spin-boson system. A mixed quantum-classical Liouville equation treats the system of interest quantum mechanically, the bath classically, and the coupling term mixed quantum-classical mechanically. This paper offers a two-fold advantage: correcting the treatment of the electronic transition decay (width in frequency domain) and assessing the local heterogeneous vibrational structure. The homogeneous linear absorption spectrum of a chromophore embedded in a mixed quantum-classical environment at low temperature is composed of a sharp peak called a zero-phonon line (ZPL) and a broad phonon sideband (PSB), whereby the ZPL and the PSB are assimilated by a Lorentzian function and Voigt profiles, respectively. The PSB, in this case, is characterized by a local heterogeneous structure due to a dispersive medium of vibrations, modeled by vibrational Gaussian distributions to represent the arising inhomogeneous broadening and Lorentzians to model the homogeneous vibrations. This description seems to model proteins and amorphous solids exhibiting a local heterogeneous structure as both electronic and vibrational inhomogeneous broadening seems to be large in these media. This work provides a derivation of linear absorption lineshape and vibronic transition dipole moment time correlation functions, both of which account for pure electronic dephasing (ZPL width) the Voigt profile description of the phonon profiles (PSB) in dispersive media.

Line-shape parameters and line mixing for the low-intensity high-J oxygen transitions

We present the results of investigations of the oxygen B-band R-branch transitions with intensities in the range from 1.5×10−26 to 2.5×10−28 cm−1/(molecule/cm2) and the total angular momentum quantum number for the lower state, J”, up to 38. High resolution CRDS laboratory spectra were fitted with the Voigt profile as well as with advanced line-shape functions consistent with the Hartmann–Tran profile, that is the speed-dependent Voigt profile and speed-dependent Nelkin–Ghatak profile using the multispectrum fitting technique. The line positions, line intensities and other line-shape parameters, together with our previous data, were collated to show trends for the whole R branch. Using the determined frequencies of the B-band transitions, the Dunham fit was performed to obtain spectroscopic parameters for both ground and excited states. Newly recorded spectra at the band head, with the signal-to-noise ratio above 20000, were analyzed with line profiles including also the line mixing. First-order line mixing determined directly from the line shape fitting at relatively low pressure (32 Torr) is in good agreement with values calculated by Sung et al. [1].

Study of vortex rope based on flow energy dissipation and vortex identification

Vortex rope causes instabilities in hydro-turbines and marine turbines. It is an important issue in the utilization of ocean energy. The flow energy dissipation (FED) is one of instability problems of turbines. The FED of vortex rope can be evaluated by the entropy production rate (EPR) according to the second law of thermodynamics. The EPR will provide a visualization of the energy change and make a better understanding of the vortex rope. In this study, a swirl generator is studied by analyzing FED and vortical flow pattern with embedded Large Eddy Simulation. By comparing Liutex method with FED's sub items, it is found that the vortex rope will not produce large energy loss. The high FED is mainly produced at the vortex rope boundary where the vortex rope interacts most strongly with the surrounding fluid. Voigt line-shape function is used to quantitatively describe the vortex rope and partition the draft tube. Transition region represents the region where the interaction mainly occurred. Transition region accounts for a higher proportion than other regions. This study provides an effective way in understanding the mechanism of FED in vortex rope and can be used to eliminate vortex rope in hydro-turbines and marine turbines.

Impact of instrumental line shape characterization on ozone monitoring by FTIR spectrometry

Abstract. Retrieving high-precision concentrations of atmospheric trace gases from FTIR (Fourier transform infrared) spectrometry requires a precise knowledge of the instrumental performance. In this context, this paper examines the impact on the ozone (O3) retrievals of several approaches used to characterize the instrumental line shape (ILS) function of ground-based FTIR spectrometers within NDACC (Network for the Detection of Atmospheric Composition Change). The analysis has been carried out at the subtropical Izaña Observatory (IZO, Spain) by using the 20-year time series of the high-resolution FTIR solar absorption spectra acquired between 1999 and 2018. The theoretical quality assessment and the comparison to independent O3 observations available at IZO (Brewer O3 total columns and electrochemical concentration cell, ECC, sondes) reveal consistent findings. The inclusion of a simultaneous retrieval of the ILS parameters in the O3 retrieval strategy allows, on the one hand, a rough instrumental characterization to be obtained and, on the other hand, the precision of the FTIR O3 products to be slightly improved. The improvement is of special relevance above the lower stratosphere, where the cross-interference between the O3 vertical distribution and the instrumental performance is more significant. However, it has been found that the simultaneous ILS retrieval leads to a misinterpretation of the O3 variations on daily and seasonal scales. Therefore, in order to ensure the independence of the O3 retrievals and the instrumental response, the optimal approach to deal with the FTIR instrumental characterization is found to be the continuous monitoring of the ILS function by means of independent observations, such as gas cell measurements.

Investigation of the fano lineshapes in plasmonic asymmetric silver nanosphere dimer

The plasmonic properties of an asymmetric dimer, comprising of two silver nanospheres with different radii, are studied by the finite difference time domain method. The extinction efficiencies of the plasmonic dimer are numerically calculated in the visible and near-infrared regime, i.e., from 950 to 150 THz. Two distinguishable Fano resonances are observed when the separation between the nanospheres is narrowed within a certain value, e.g., less than 10 nm. The extinction spectrum that presents two Fano resonances, associated with two electromagnetic modes, is well fitted using a model consisting of two Fano lineshape functions. The resonance frequencies, the spectral widths, and the characteristic q values are obtained via the best fit parameters, and their trends are revealed with varying the radii of the nanospheres. The fitting scheme proposed in this work may be useful in the study of other plasmonic nanostructures with multiple Fano resonances.

Using HITRAN to model opacities for planetary atmospheres: test case of microwave spectra of NH3, SO2, and PH3

ABSTRACT The latest version of the HITRAN molecular spectroscopic data base, HITRAN2020, has recently been released featuring many updates, including line-by-line broadening parameters (and their temperature dependence) appropriate for the dominant constituents of planetary atmospheres. In this work, line shape codes suitable for calculating microwave spectra have been implemented within the HITRAN Application Programming Interface (HAPI). These new additions allow for spectroscopic calculations of microwave absorbing species pertinent to current and future studies of the atmospheres of Jupiter and Venus, and more generally for the atmospheres of gas giants and rocky planets. The inversion spectrum of the NH3 molecule broadened by H2, He, and H2O dominates the microwave region of Jupiter, whereas for Venus, accurate spectroscopic data of SO2 broadened by CO2 are necessary in order to determine its significance, if any, on the reported detection of PH3 in the Venusian upper cloud deck. Comparisons have been made to available microwave laboratory opacities and the following results illustrate that HITRAN data can be used in conjunction with HAPI to reproduce the existing experimental measurements and provide reliable calculation of planetary opacities. Users should be mindful regarding selection of appropriate parameters in HITRAN and selecting suitable line shape functions in HAPI, depending on the spectral region, target molecular species, as well as ambient chemical and thermodynamic conditions.

Fano-Type Wavelength-Dependent Asymmetric Raman Line Shapes from MoS2 Nanoflakes.

Excitation wavelength-dependent Raman spectroscopy has been carried out to study electron-phonon interaction (Fano resonance) in multi-layered bulk 2H-MoS2 nano-flakes. The electron-phonon coupling is proposed to be caused due to interaction between energy of an excitonic quasi-electronic continuum and the discrete one phonon, first-order Raman modes of MoS2. It is proposed that an asymmetrically broadened Raman line shape obtained by 633 nm laser excitation is due to electron-phonon interaction whose electronic continuum is provided by the well-known A and B excitons. Typical wavelength-dependent Raman line shape has been observed, which validates and quantifies the Fano interaction present in the samples. The experimentally obtained Raman scattering data show very good agreement with the theoretical Fano-Raman line-shape functions and help in estimating the coupling strength. Values of the electron-phonon interaction parameter obtained, through line-shape fitting, for the two excitation wavelengths have been compared and shown to have generic Fano-type dependence on the excitation wavelength.