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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Infrared reflectivity spectra of gas-source molecular beam epitaxy grown dilute InN{sub x}As{sub 1-x}/InP (001)

Vibrational spectra of gas-source molecular beam epitaxy grown dilute InN{sub x}As{sub 1-x}/InP (001) alloys are obtained using a Fourier-transform infrared (IR) spectroscopy. A triply degenerate N{sub As} local vibrational mode of T{sub d}-symmetry is observed near 438 cm{sup -1} corresponding to the In-N bond energy. The analysis of composition dependent infrared reflectivity spectra in InNAs has predicted a two-phonon-mode behavior. In In(Ga)-rich GaInNAs alloys the observed splitting of the N{sub As} local mode into a doublet for the N{sub As}-Ga{sub 1}(In{sub 1})In{sub 3}(Ga{sub 3}) pair-defect of C{sub 3v}-symmetry is consistent with our simulated results based on a sophisticated Green's function theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Optical characterization of free electron concentration in heteroepitaxial InN layers using Fourier transform infrared spectroscopy and a 2 Multiplication-Sign 2 transfer-matrix algebra

Fourier Transform Infrared (FTIR) reflectance spectroscopy has been implemented as a non-destructive, non-invasive, tool for the optical characterization of a set of c-plane InN single heteroepitaxial layers spanning a wide range of thicknesses (30-2000 nm). The c-plane (0001) InN epilayers were grown by plasma-assisted molecular beam epitaxy (PAMBE) on GaN(0001) buffer layers which had been grown on Al{sub 2}O{sub 3}(0001) substrates. It is shown that for arbitrary multilayers with homogeneous anisotropic layers having their principal axes coincident with the laboratory coordinates, a 2 Multiplication-Sign 2 matrix algebra based on a general transfer-matrix method (GTMM) is adequate to interpret their optical response. Analysis of optical reflectance in the far and mid infrared spectral range has been found capable to discriminate between the bulk, the surface and interface contributions of free carriers in the InN epilayers revealing the existence of electron accumulation layers with carrier concentrations in mid 10{sup 19} cm{sup -3} at both the InN surface and the InN/GaN interface. The spectra could be fitted with a three-layer model, determining the different electron concentration and mobility values of the bulk and of the surface and the interface electron accumulation layers in the InN films. The variation of these values with increasing InN thickness could be also sensitively detected by the optical measurements. The comparison between the optically determined drift mobility and the Hall mobility of the thickest sample reveals a value of r{sub H} = 1.49 for the Hall factor of InN at a carrier concentration of 1.11 Multiplication-Sign 10{sup 19} cm{sup -3} at 300 Degree-Sign {Kappa}.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Infrared electroluminescence from GeSn heterojunction diodes grown by molecular beam epitaxy

Infrared electroluminescence was observed from GeSn/Ge p-n heterojunction diodes with 8% Sn, grown by molecular beam epitaxy. The GeSn layers were boron doped, compressively strained, and pseudomorphic on Ge substrates. Spectral measurements indicated an emission peak at 0.57 eV, about 50 meV wide, increasing in intensity with applied pulsed current, and with reducing device temperatures. The total integrated emitted power from a single edge facet was 54 {mu}W at an applied peak current of 100 mA at 100 K. These results suggest that GeSn-based materials maybe useful for practical light emitting diodes operating in the infrared wavelength range near 2 {mu}m.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Infrared absorption of 3-propenonyl (⋅CH{sub 2}CHCO) radical generated upon photolysis of acryloyl chloride [CH{sub 2}CHC(O)Cl] in solid para-H{sub 2}

Irradiation at 193 nm of a p-H{sub 2} matrix containing acryloyl chloride CH{sub 2}CHC(O)Cl at 3.2 K yielded infrared absorption lines at 3143.6 (ν{sub 1}), 3057.0 (ν{sub 2}), 3048.0 (ν{sub 3}), 2103.1 (ν{sub 4}), 1461.0 (ν{sub 5}), 1349.8 (ν{sub 6}), 1223.7 (ν{sub 11}+ν{sub 12} or 2ν{sub 12}), 1092.8 (ν{sub 8}), 918.1 (ν{sub 9}), 691.0 (ν{sub 10}), 624.3 (ν{sub 11}), and 597.1 (ν{sub 12}) cm{sup −1} that are assigned to the 3-propenonyl (⋅CH{sub 2}CHCO) radical. The assignments are based on the photolytic behavior and a comparison of observed vibrational wavenumbers and infrared intensities with those predicted with the B3PW91/aug-cc-pVDZ method. The observation is consistent with a major radical formation channel CH{sub 2}CHCO + Cl followed by escape of the Cl atom from the original p-H{sub 2} cage. The observation of 3-propenonyl (⋅CH{sub 2}CHCO) radical but not 3-propenalyl (s-cis- or s-trans-CH{sub 2}CHĊO) radical indicates that the former is the most stable isomer and that the barrier heights for conversion from s-cis- or s-trans-CH{sub 2}CHĊO to ⋅CH{sub 2}CHCO are small.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Matrix isolation infrared spectroscopic and theoretical study of 1,1,1-trifluoro-2-chloroethane (HCFC-133a)

The molecular structure and infrared spectrum of the atmospheric pollutant 1,1,1-trifluoro-2-chloroethane (HCFC-133a; CF{sub 3}CH{sub 2}Cl) in the ground electronic state were characterized experimentally and theoretically. Excited state calculations (at the CASSCF, MR-CISD, and MR-CISD+Q levels) have also been performed in the range up to ∼9.8 eV. The theoretical calculations show the existence of one (staggered) conformer, which has been identified spectroscopically for the monomeric compound isolated in cryogenic (∼10 K) argon and xenon matrices. The observed infrared spectra of the matrix-isolated HCFC-133a were interpreted with the aid of MP2/aug-cc-pVTZ calculations and normal coordinate analysis, which allowed a detailed assignment of the observed spectra to be carried out, including identification of bands due to different isotopologues ({sup 35}Cl and {sup 37}Cl containing molecules). The calculated energies of the several excited states along with the values of oscillator strengths and previous results obtained for CFCs and HCFCs suggest that the previously reported photolyses of the title compound at 147 and 123.6 nm [T. Ichimura, A. W. Kirk, and E. Tschuikow-Roux, J. Phys. Chem. 81, 1153 (1977)] are likely to be initiated in the n-4s and n-4p Rydberg states, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

A full dimensional investigation of infrared spectroscopy of the RbCs dimer using the multi-configuration time-dependent Hartree method

The geometry and infrared absorption spectrum of (RbCs){sub 2} have been studied by full dimensional quantum dynamics simulations. For this purpose, the potential energy and dipole moment surfaces are generated by means of a cluster expansion with all two and three mode correlations, and fitted to analytical expressions with negligible deviations. Accordingly, the ground state (RbCs){sub 2} has a diamond geometry with D{sub 2h} symmetry. The infrared spectrum with frequencies up to 120 cm{sup −1}, exhibits rich details of the fundamentals, overtones, and combination bands; the highest fundamental frequency of (RbCs){sub 2} is only 40.26 cm{sup −1}. The present study unravels important details of the interactions between the widely investigated ultracold RbCs molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Antenna-coupled microcavities for enhanced infrared photo-detection

We demonstrate mid-infrared detectors embedded into an array of double-metal nano-antennas. The antennas act as microcavities that squeeze the electric field into thin semiconductor layers, thus enhancing the detector responsivity. Furthermore, thanks to the ability of the antennas to gather photons from an area larger than the device's physical dimensions, the dark current is reduced without hindering the photo-generation rate. In these devices, the background-limited performance is improved with a consequent increase of the operating temperature. Our results illustrate how the antenna-coupled microcavity concept can be applied to enhance the performances of infrared opto-electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Discriminating trpzip2 and trpzip4 peptides’ folding landscape using the two-dimensional infrared spectroscopy: A simulation study

We analyzed, based on the theoretical spectroscopic modeling, how the differences in the folding landscapes of two β-hairpin peptides trpzip2 and trpzip4 are reflected in their thermal unfolding infrared measurements. The isotope-edited equilibrium FTIR and two dimensional infrared spectra of the two peptides were calculated, using the nonlinear exciton propagation method, at a series of temperatures. The spectra calculations were based on the configuration distributions generated using the GB{sup OBC} implicit solvent MD simulation and the integrated tempering sampling technique. Conformational analysis revealed the different local thermal stabilities for these two peptides, which suggested the different folding landscapes. Our study further suggested that the ellipticities of the isotope peaks in the coherent IR signals are more sensitive to these local stability differences compared with other spectral features such as the peak intensities. Our technique can thus be combined with the relevant experimental measurements to achieve a better understanding of the peptide folding behaviors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

High efficiency quasi-monochromatic infrared emitter

Incandescent radiation sources are widely used as mid-infrared emitters owing to the lack of alternative for compact and low cost sources. A drawback of miniature hot systems such as membranes is their low efficiency, e.g., for battery powered systems. For targeted narrow-band applications such as gas spectroscopy, the efficiency is even lower. In this paper, we introduce design rules valid for very generic membranes demonstrating that their energy efficiency for use as incandescent infrared sources can be increased by two orders of magnitude.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Spin-phonon interactions of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramics: Low-temperature Raman scattering and infrared reflectance spectra investigations

Optical phonons of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramic have been investigated by low temperature Raman scattering and infrared reflectance spectra. Anomalies at about 85 K can be observed from the temperature dependence of the Raman and infrared modes, which arise from spin-phonon interaction during antiferromagnetic to paramagnetic phase transition. It was found that the change of exchange interaction in magnetic phase transition can be induced by Fe-O-Fe octahedral tilting driven from the A-site atoms. Moreover, ferroelectricity-related displacement of Bismuth atoms suggests the coupling of magnetic and ferroelectric orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Simulation and analysis of grating-integrated quantum dot infrared detectors for spectral response control and performance enhancement

We propose and analyze a novel detector structure for pixel-level multispectral infrared imaging. More specifically, we investigate the device performance of a grating-integrated quantum dots-in-a-well photodetector under backside illumination. Our design uses 1-dimensional grating patterns fabricated directly on a semiconductor contact layer and, thus, adds a minimal amount of additional effort to conventional detector fabrication flows. We show that we can gain wide-range control of spectral response as well as large overall detection enhancement by adjusting grating parameters. For small grating periods, the spectral responsivity gradually changes with parameters. We explain this spectral tuning using the Fabry–Perot resonance and effective medium theory. For larger grating periods, the responsivity spectra get complicated due to increased diffraction into the active region, but we find that we can obtain large enhancement of the overall detector performance. In our design, the spectral tuning range can be larger than 1 μm, and, compared to the unpatterned detector, the detection enhancement can be greater than 92% and 148% for parallel and perpendicular polarizations. Our work can pave the way for practical, easy-to-fabricate detectors, which are highly useful for many infrared imaging applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Micro-electro-mechanically switchable near infrared complementary metamaterial absorber

We experimentally demonstrate a micro-electro-mechanically switchable near infrared complementary metamaterial absorber by integrating the metamaterial layer to be the out of plane movable microactuator. The metamaterial layer is electrostatically actuated by applying voltage across the suspended complementary metamaterial layer and the stationary bottom metallic reflector. Thus, the effective spacing between the metamaterial layer and bottom metal reflector is varied as a function of applied voltage. With the reduction of effective spacing between the metamaterial and reflector layers, a strong spectral blue shift in the peak absorption wavelength can be achieved. With spacing change of 300 nm, the spectral shift of 0.7 μm in peak absorption wavelength was obtained for near infrared spectral region. The electro-optic switching performance of the device was characterized, and a striking switching contrast of 1500% was achieved at 2.1 μm. The reported micro-electro-mechanically tunable complementary metamaterial absorber device can potentially enable a wide range of high performance electro-optical devices, such as continuously tunable filters, modulators, and electro-optic switches that form the key components to facilitate future photonic circuit applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Infrared spectroscopy of the acetyl cation and its protonated ketene isomer

[C{sub 2},H{sub 3},O]{sup +} ions are generated with a pulsed discharge in a supersonic expansion containing methyl acetate or acetone. These ions are mass selected and their infrared spectra are recorded via laser photodissociation and the method of argon tagging. Computational chemistry is employed to investigate structural isomers and their spectra. The acetyl cation (CH{sub 3}CO{sup +}) is the global minimum and protonated ketene (CH{sub 2}COH{sup +}) is the next lowest energy isomer (+176.2 kJ/mol). When methyl acetate is employed as the precursor, the infrared spectrum reveals that only the acetyl cation is formed. Partially resolved rotational structure reveals rotation about the C{sub 3} axis. When acetone is used as the precursor, acetyl is still the most abundant cation, but there is also a minor component of protonated ketene. Computations reveal a significant barrier to interconversion between the two isomers (+221 kJ/mol), indicating that protonated ketene must be obtained via kinetic trapping. Both isomers may be present in interstellar environments, and their implications for astrochemistry are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane

Oxirane derivatives are the most used benchmarks for chiroptical spectroscopies in view of their small size and relative rigidity. The molecular structure, vibrational harmonic and anharmonic frequencies, and infrared intensities of the ground electronic states are analyzed in this paper. Equilibrium structure and harmonic force fields have been evaluated by means of high-level quantum-chemical calculations at the coupled-cluster level including single and double excitations together with a perturbative treatment of triples (CCSD(T)). Extrapolation to the complete basis-set limit as well as core-correlation effects have also been taken into account. Anharmonic contributions have been computed at the CCSD(T)/cc-pVTZ level for trans-2,3-dideuterooxirane. These data can serve as references to evaluate the accuracy of less expensive computational approaches rooted in the density functional theory (DFT). The latter have been used within hybrid CC/DFT approaches, which have been applied to simulate fully anharmonic infrared (IR) spectra. Finally, the best theoretical estimates of the equilibrium structures and vibrational wavenumbers are compared to the most accurate experimental data and show in all cases very good agreement, i.e., within 0.001 Å, 0.1 deg, 10 cm{sup −1}, and 0.5 km mol{sup −1}, for bond lengths, angles, wavenumbers, and IR intensities, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Quantum efficiency investigations of type-II InAs/GaSb midwave infrared superlattice photodetectors

We present in this paper a comparison between different type-II InAs/GaSb superlattice (T2SL) photodiodes and focal plane array (FPA) in the mid-wavelength infrared domain to understand which phenomenon drives the performances of the T2SL structure in terms of quantum efficiency (QE). Our measurements on test photodiodes suggest low minority carrier diffusion length in the “InAs-rich” design, which penalizes carriers' collection in this structure for low bias voltage and front side illumination. This analysis is completed by a comparison of the experimental data with a fully analytic model, which allows to infer a hole diffusion length shorter than 100 nm. In addition, measurements on a FPA with backside illumination are finally presented. Results show an average QE in the 3–4.7 μm window equal to 42% for U{sub bias} = −0.1 V, 77 K operating temperature and no anti-reflection coating. These measurements, completed by modulation transfer function and noise measurements, reveal that the InAs-rich design, despite a low hole diffusion length, is promising for high performance infrared imaging applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Wide-angle ITER-prototype tangential infrared and visible viewing system for DIII-D

An imaging system with a wide-angle tangential view of the full poloidal cross-section of the tokamak in simultaneous infrared and visible light has been installed on DIII-D. The optical train includes three polished stainless steel mirrors in vacuum, which view the tokamak through an aperture in the first mirror, similar to the design concept proposed for ITER. A dichroic beam splitter outside the vacuum separates visible and infrared (IR) light. Spatial calibration is accomplished by warping a CAD-rendered image to align with landmarks in a data image. The IR camera provides scrape-off layer heat flux profile deposition features in diverted and inner-wall-limited plasmas, such as heat flux reduction in pumped radiative divertor shots. Demonstration of the system to date includes observation of fast-ion losses to the outer wall during neutral beam injection, and shows reduced peak wall heat loading with disruption mitigation by injection of a massive gas puff.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Tunable ultrasonic phononic crystal controlled by infrared radiation

A tunable phononic crystal based ultrasonic filter was designed by stimulating the phase of the polymeric material embedded in a periodic structure using infrared radiation. The acoustic filter can be tuned remotely using thermal stimulation induced by the infrared radiation. The filter is composed of steel cylinder scatterers arranged periodically in a background of bulk poly (N-isopropylacrylamide) polymer hydrogel. The lattice structure creates forbidden bands for certain sets of mechanical waves that cause it to behave as an ultrasonic filter. Since the bandstructure is determined by not only the arrangement of the scatterers but also the physical properties of the materials composing the scatterers and background, modulating either the arrangement or physical properties will alter the effect of the crystal on propagating mechanical waves. Here, the physical properties of the filter are varied by inducing changes in the polymer hydrogel using an electromagnetic thermal stimulus. With particular focus on the k{sub 00}-wave, the transmission of ultrasonic wave changes by as much as 20 dBm, and band widths by 22% for select bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Spectral response of localized surface plasmon in resonance with mid-infrared light

We study spectral responses of localized surface plasmons (LSPs) in gold nanorods, which resonate at mid-infrared frequencies, by transmission spectroscopy and electromagnetic field analyses. The resonance linewidth is found to be linearly proportional to the resonance frequency, indicating that the dephasing due to Drude relaxation is suppressed and that the overall dephasing is dominated by radiative damping. Owing to the reduced radiative/non-radiative damping and large geometrical length of the nanorod, near-field intensity enhancement exceeds several hundred times. Nonetheless the resonance linewidth is comparable with or larger than the bandwidth of a 100-fs pulse, and therefore the enhanced near-field as short as 100-fs can be created upon pulsed excitation. The large enhancements with appropriate bandwidths make LSPs promising for enhanced nonlinear spectroscopies, coherent controls, and strong-field light-matter interactions in the mid-infrared range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗