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DOE OSTI2025

First-principles computations of the Stark shift of a defect-bound exciton: The case of the T center in silicon

The T center in silicon has recently drawn a lot of attention for its potential in quantum information science. The sensitivity of the zero-phonon line (ZPL) to electrical field was recently investigated by a combination of different experimental methods but there are still few first principles studies on the Stark shift of the T center. Dealing with the defect-bound exciton nature of the excited state is particularly challenging using density functional theory because of the large spatial delocalization associated with the wavefunction. Here, in this work, we tackle this issue by performing a convergence study over the supercell size. We obtain an exciton binding energy of 28.5 meV, in good agreement with experimental results. We then calculate the Stark shift through the dipole moment change of the ZPL transition of the T center using the modern theory of polarization formalism and find a modest linear coefficient of Δ⁢𝜇=0.79⁢D along X and Δ⁢𝜇=0.03⁢𝐷 along Y. We discuss our results in light of the recent experimental measurements of the Stark shift. Our analysis suggests that bound-exciton defects could be particularly sensitive to local field effect as a result of their large spatial extent.

color centers↗

DOE OSTI2023

Structure of the antenna complex expressed during far-red light photoacclimation in Synechococcus sp. PCC 7335

Far-red light photoacclimation, or FaRLiP, is a facultative response exhibited by some cyanobacteria that allows them to absorb and utilize lower energy light (700–800 nm) than the wavelengths typically used for oxygenic photosynthesis (400–700 nm). During this process, three essential components of the photosynthetic apparatus are altered: photosystem I, photosystem II, and the phycobilisome. In all three cases, at least some of the chromophores found in these pigment–protein complexes are replaced by chromophores that have red-shifted absorbance relative to the analogous complexes produced in visible light. Recent structural and spectroscopic studies have elucidated important features of the two photosystems when altered to absorb and utilize far-red light, but much less is understood about the modified phycobiliproteins made during FaRLiP. We used single-particle, cryo-EM to determine the molecular structure of a phycobiliprotein core complex comprising allophycocyanin variants that absorb far-red light during FaRLiP in the marine cyanobacterium Synechococcus sp. PCC 7335. The structure reveals the arrangement of the numerous red-shifted allophycocyanin variants and the probable locations of the chromophores that serve as the terminal emitters in this complex. It also suggests how energy is transferred to the photosystem II complexes produced during FaRLiP. The structure additionally allows comparisons with other previously studied allophycocyanins to gain insights into how phycocyanobilin chromophores can be tuned to absorb far-red light. These studies provide new insights into how far-red light is harvested and utilized during FaRLiP, a widespread cyanobacterial photoacclimation mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Lighting Policy Options to Incentivize the Circular Economy

Energy codes and energy efficiency policy are primed for significant shifts in the coming decade. Consumers are increasingly asking manufacturers to take responsibility for products over the course of the product lifespan, including at end-of-life. Consumer demand for social and environmental responsibility may push new codes and policies that incentivize the circular economy. Within the lighting sector, for example, rapid innovations have created large energy savings but also created a complex waste stream. Traditional energy code approaches to lighting efficiency have considered only lighting power density or energy-based metrics. Shifting codes and policy to consider environmental impacts of the product lifecycle could include circular economy mechanisms such as product deposits or service-based business models. In this paper we consider the possible structures for both codes and policies, and provide an analysis of the merits of each policy using life cycle assessment and sustainability index (SI).

Dillon, Heather↗

DOE OSTI2021

Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions

Significance Shift current, a bulk photovoltaic effect, arises from nonlinear light–matter interaction in a noncentrosymmetric crystal under continuous wave illumination. Although it is a promising mechanism for photocurrent generation without p–n junctions, the short-circuit current (which is related to the power efficiency of a solar cell device) is usually low. It is therefore important to understand the physics of the phenomenon and find materials with strong shift current conductivity. We calculate the shift current conductivity including excitonic effects in a real material (monolayer GeS) from first principles. We show that electron–hole interactions can dramatically enhance and qualitatively change shift current in reduced-dimensional materials. Our results indicate low-dimensional materials are promising candidates for next-generation photovoltaic devices with high efficiencies.

Chan, Yang-Hao↗

DOE OSTI2021

Faraday Michelson Interferometers for Signal Demodulation of Fiber-Optic Sensors

We developed an all-fiber-based optical demodulator for the signal interrogation of low-coherence fiber-optic Fabry–Perot interferometric sensors. The optical demodulator consists of a Michelson interferometer implemented by using a 3×3 fiber coupler and two fiber-coupled Faraday reflectors with tunable fiber delay lines. The demodulator's output contains two optical interference signals with a constant phase shift and the output shows no sensitivity to the polarization variation in the light source or fibers. A digital phase recovery algorithm is used to extract the measurand information from the phase-shifted signals at high accuracy, high dynamic range, and high stability. The optical demodulator has been applied to the measurement of high-frequency vibrations and strains using fiber-optic sensors.

47 OTHER INSTRUMENTATION↗

NASA NTRS1974

Clear air turbulence detector

A system to be employed by an aircraft for the detection of clear air turbulence is described. The system employs a laser light beam which is directed ahead of the aircraft along the flight path. The portion of the light reflected back to the aircraft by atmospheric aerosol is detected and analyzed for Doppler shift. The velocity and intensity of the turbulence is determined by the type and amount of the light reflected.

Dahm, W. K.↗

DOE OSTI2026

Can ERA5 Be Used to Study Mesoscale Convective System Climatological Characteristics?

Mesoscale convective systems (MCSs) produce more than half of tropical rainfall and are central to the global hydrologic cycle. As the climate warms, environments favorable for MCSs may become more common; however, limited observational records hamper understanding of how MCSs respond to variations and changes in their environments. Here, we evaluate how well MCSs are represented in ERA5, a widely used global high‐resolution reanalysis product. Using PyFLEXTRKR, which jointly tracks top‐of‐atmosphere infrared brightness temperature and surface precipitation, we identified MCSs in ERA5 and compared them with those identified in satellite observations using the same detection algorithm. This comparison analysis spans 2007–2020 using hourly data at 0.25° horizontal resolution focusing over the tropics. ERA5 reproduces observed brightness‐temperature statistics and captures the geographic distribution and seasonal and diurnal cycles of MCS cold cloud shields. However, ERA5 precipitation exhibits an intensity bias—too much light rain and too little heavy rain—which shifts the rain‐rate distribution and reduces the frequency of MCSs relative to observations. Within MCSs, ERA5 precipitation exhibits the same pattern of bias, yielding a systematic underestimation of MCS precipitation intensity. Consistent with these biases, ERA5 underestimates the contribution of MCS to tropical rainfall by 25%–34% in key regions. Overall, ERA5 is suitable for studying MCS cold cloud‐shield climatology and evolution, but precipitation‐based MCS characteristics (including event‐level precipitation features and the geospatial distribution of MCS precipitation) should be interpreted with caution. These findings clarify which aspects of MCS behavior are robustly represented in ERA5 for climatological applications.

mesoscale convection↗

DOE OSTI2025

Tuning optical properties and local lone-pair off-centering in “hollow” FA 1− x { en } x Pb η−y Sn y Br 3 perovskites

Hollow metal halide perovskites, while a relatively recent discovery, have already been shown to push the boundaries of tuneability within an inherently limited compositional space. Here, we further expand our knowledge of these complex materials demonstrating the ability to control optical properties and local structure, notably lone-pair induced off-centering. We focus on the mixed metal FA 1−x en x Pb η−y Sn y Br 3 hollow perovskites. These compounds have wide ranging optical gaps from 1.9 eV (deep red) to 2.6 eV (light yellow), combining the anomalous bandgap red-shifting of Pb/Sn mixing with the blue-shifting effects of the organic substitution. Average and local structural studies employing single crystal X-ray diffraction and total X-ray scattering pair distribution function analyses respectively suggest strong incoherent off-centering distortions that are locally correlated with Sn concentration. The inclusion of ethylenediammonium dications appears to regulate metal off-centering, opening new opportunities of research into this phenomenon.

Balvanz, Adam [Northwestern University, Evanston, ↗

DOE OSTI2025

Epitaxial PbGeSe thin films and their photoluminescence in the mid-wave infrared

PbSe is a narrow bandgap IV–VI compound semiconductor with application in mid-wave infrared optoelectronics, thermoelectrics, and quantum devices. Alkaline-earth or rare-earth elements such as Sr and Eu can substitute Pb to widen the bandgap of PbSe in heterostructure devices, but they come with challenges such as deteriorating optical and electronic properties, even in dilute concentrations due to their dissimilar atomic nature. We substitute Pb instead with column IV Ge and assess the potential of rocksalt phase PbGeSe as a wider bandgap semiconductor in thin films grown by molecular beam epitaxy on GaAs substrates. Low sticking of GeSe adatoms requires synthesis temperatures below 260 °C to incorporate Ge, but this yields poor structural and compositional uniformity as determined by x-ray diffraction. Consequently, as-grown films in the range Pb0.94Ge0.06Se–Pb0.83Ge0.17Se (6%–17% Ge) show much less bandgap widening in photoluminescence than prior work on bulk crystals using absorption. We observe that post-growth rapid thermal annealing at temperatures of 375–450 °C improves the crystal quality and recovers bandgap widening. Rapid interdiffusion of Ge during annealing, however, remains a challenge in harnessing such PbGeSe materials for compositionally sharp heterostructures. Annealed 17% Ge films emit light at 3–3.1 μm with a minimal shift in wavelength vs temperature. These samples are wider in bandgap than PbSe films by 55 meV at room temperature, and the widening increases to 160 meV at 80 K, thanks to sharply different dependence of bandgap on temperature in PbSe vs PbGeSe.

Xiao, Kelly (ORCID:0000000321000838)↗

NASA NTRS1980

Method and apparatus for Doppler frequency modulation of radiation

A method and apparatus are described for frequency modulating radiation, such as from a laser, for optoacoustic detectors, interferometers, heterodyne spectrometers, and similar devices. Two oppositely reciprocating cats-eye retroreflectors are used to Doppler modulate the radiation. By reciprocally moving both retroreflectors, the center of mass is maintained constant to permit smooth operation at many Hertz. By slightly offsetting the axis of one retroreflector relative to the other, multiple passes of a light beam may be achieved for greater Doppler shifts with the same reciprocating motion of the retroreflectors.

Margolis, J. S.↗

NASA NTRS1980

Nonlinear optical processing with Fabry-Perot interferometers containing phase recording media

New techniques in nonlinear optical processing are explored, based on the operation of intensity level selection as performed by a Fabry-Perot interferometer containing a phase object. The image being processed is recorded on a medium between the mirrors as a spatially varying phase shift less than pi. The interferometer only transmits light through those portions of the object that corresponds to a single value of the phase and hence to a single intensity level in the input. More complicated operations such as thresholding and analog-to-digital conversion are performed by modulating the light source as the different levels are selected. Photoresist and lithium niobate have been used as phase objects, and experimental data for both are presented. Three kinds of Fabry-Perot interferometers have been used to demonstrate nonlinear processing using coherent and incoherent light. Color images have been produced with black and white inputs and white light illumination.

Bartholomew, B. J.↗

NASA NTRS1980

Analysis of localized fringes in the holographic optical Schlieren system

The relation between localization of interference fringes in classical and holographic interferometry is reviewed and an application of holographic interferometry is considered for which the object is a transparent medium with nonhomogeneous refractive index. The technique is based on the analysis of the optical path length change of the object wave as it propagates through a transparent medium. Phase shifts due to variations of the speed of light within the medium give rise to an interference pattern. The resulting interferogram can be used to determine the physical properties of the medium or transparent object. Such properties include the mass density of fluids, electron densities of plasmas, the temperature of fluids, the chemical species concentration of fluids, and the state of stress in solids. The optical wave used can be either a simple plane or spherical wave, or it may be a complicated spatial wave scattered by a diffusing screen. The mathematical theory on the formation and analysis of localized fringes, the general theoretical concepts used, and a computer code for analysis are included along with the inversion of fringe order data.

Kurtz, R. L.↗

NASA NTRS2001

Virtual Instrumentation for a Fiber-Optics-Based Artificial Nerve

A LabView-based computer interface for fiber-optic artificial nerves has been devised as a Masters thesis project. This project involves the use of outputs from wavelength multiplexed optical fiber sensors (artificial nerves), which are capable of producing dense optical data outputs for physical measurements. The potential advantages of using optical fiber sensors for sensory function restoration is the fact that well defined WDM-modulated signals can be transmitted to and from the sensing region allowing networked units to replace low-level nerve functions for persons desirous of "intelligent artificial limbs." Various FO sensors can be designed with high sensitivity and the ability to be interfaced with a wide range of devices including miniature shielded electrical conversion units. Our Virtual Instrument (VI) interface software package was developed using LabView's "Laboratory Virtual Instrument Engineering Workbench" package. The virtual instrument has been configured to arrange and encode the data to develop an intelligent response in the form of encoded digitized signal outputs. The architectural layout of our nervous system is such that different touch stimuli from different artificial fiber-optic nerve points correspond to gratings of a distinct resonant wavelength and physical location along the optical fiber. Thus, when an automated, tunable diode laser sends scans, the wavelength spectrum of the artificial nerve, it triggers responses that are encoded with different touch stimuli by way wavelength shifts in the reflected Bragg resonances. The reflected light is detected and a resulting analog signal is fed into ADC1 board and DAQ card. Finally, the software has been written such that the experimenter is able to set the response range during data acquisition.

Lyons, Donald R.↗

NASA NTRS2010

Polarization Dependent Coupling of Whispering Gallery Modes in Microspheres

Two sets of resonances in glass microspheres attached to a standard communication-grade single-mode optical fiber have been observed. It has been found that the strength of the resonances depends strongly on the polarization of the coupled light. Furthermore, the position of the resonances in the wavelength domain depends on the polarization of light in the optical fiber with maximum magnitudes shifted by approximately 45 .

Adamovsky, G.↗

NASA NTRSDate not supplied

Metrological and Spectral Characterization of the Aspera Flight Optics

Aspera is a NASA's Astrophysics Pioneers mission, led by the University of Arizona. The aim of this mission is to study the presence of hot gasses (T=10^5-10^6 K) in the circumgalactic medium (CGM) and how the flow of these gasses affects galactic formation. One key enabling technology in the Aspera optical system is the use of more efficient UV-reflective optical coatings particularly at around 103.2 nm where the O VI emission line is located . In order to meet radiometric effective area requirements, the Goddard Space Flight Center (GSFC) code 551 Optics Branch applied Al (aluminum) + eLiF (enhanced lithium fluoride) on these optics, where the Al+LiF is annealed at elevated temperature (~250˚C) after the deposition and thus providing an improved version of the Al+LiF used in FUSE . Furthermore, these optics are encapsulated with a thin film of atomic layer deposited MgF2 at the Jet Propulsion Laboratory for enhanced durability . The efficiency and durability of these coatings depends on the quality of the optical surface in terms of cleanliness and roughness. Roughness increases the scatter off the coating and reduces the specular reflectance, and surface contaminants can accommodate moisture and other contaminants, increase scattering, and are weak points in the coating that may affect adhesion and subsequently the longevity of these coatings. Extensive optical metrology is necessary to minimize and quantify the impact of surface roughness and contaminants on optical surfaces. In this proceeding we report the inspection procedure implemented for Aspera optics at GSFC, from initial receiving of the optics to post-coating. Inspection includes Atomic Force Microscopy (AFM), Scanning White Light Interferometry (SWILI), Dark Field Microscopy (DFM), Phase Shifting Interferometry (PSI), and Vacuum ultraviolet (VUV) spectroscopy. Combinations of these techniques are used to inspect flight optics at each of the following steps: i) as-received, pre-cleaning inspection, ii) pre-coating, post-cleaning inspection, and iii) post-coating inspection. The evolution of roughness and other surface inspections such as contaminants are compared between each step to quantify the effect each step has on the flight optics. The final far ultraviolet (FUV) spectral performance of witness samples coated with the flight optics are presented.

Far Ultraviolet (FUV)↗

DOE OSTI2024

Lateral Beam Shifts and Depolarization Upon Oblique Reflection from Dielectric Mirrors

Abstract Dielectric mirrors comprising thin‐film multilayers are widely used in optical experiments because they can achieve substantially higher reflectance compared to metal mirrors. Here, potential problems are investigated that can arise when dielectric mirrors are used at oblique incidence, in particular for focused beams. It is found that light beams reflected from dielectric mirrors can experience lateral beam shifts, beam‐shape distortion, and depolarization, and these effects have a strong dependence on wavelength, incident angle, and incident polarization. Because vendors of dielectric mirrors typically do not share the particular layer structure of their products, several dielectric‐mirror stacks are designed and simulated, and then the lateral beam shift from two commercial dielectric mirrors and one coated metal mirror is also measured. This paper brings awareness of the tradeoffs between dielectric mirrors and front‐surface metal mirrors in certain optics experiments, and it is suggested that vendors of dielectric mirrors provide information about beam shifts, distortion, and depolarization when their products are used at oblique incidence.

Physics↗

NASA NTRS1994

Method and apparatus for white-light dispersed-fringe interferometric measurement of corneal topography

An novel interferometric apparatus and method for measuring the topography of aspheric surfaces, without requiring any form of scanning or phase shifting. The apparatus and method of the present invention utilize a white-light interferometer, such as a white-light Twyman-Green interferometer, combined with a means for dispersing a polychromatic interference pattern, using a fiber-optic bundle and a disperser such as a prism for determining the monochromatic spectral intensities of the polychromatic interference pattern which intensities uniquely define the optical path differences or OPD between the surface under test and a reference surface such as a reference sphere. Consequently, the present invention comprises a snapshot approach to measuring aspheric surface topographies such as the human cornea, thereby obviating vibration sensitive scanning which would otherwise reduce the accuracy of the measurement. The invention utilizes a polychromatic interference pattern in the pupil image plane, which is dispersed on a point-wise basis, by using a special area-to-line fiber-optic manifold, onto a CCD or other type detector comprising a plurality of columns of pixels. Each such column is dedicated to a single point of the fringe pattern for enabling determination of the spectral content of the pattern. The auto-correlation of the dispersed spectrum of the fringe pattern is uniquely characteristic of a particular optical path difference between the surface under test and a reference surface.

Hochberg, Eric B.↗

DOE OSTI2020

Is the Kok effect a respiratory phenomenon? Metabolic insight using 13 C labeling in Helianthus annuus leaves

The Kok effect is a well-known phenomenon in which the quantum yield of photosynthesis changes abruptly at low light. This effect has often been interpreted as a shift in leaf respiratory metabolism and thus used widely to measure day respiration. However, there is still no formal evidence that the Kok effect has a respiratory origin. Here, both gas exchange and isotopic labeling were carried out on sunflower leaves, using glucose that was 13 C-enriched at specific C-atom positions. Position-specific decarboxylation measurements and NMR analysis of metabolites were used to trace the fate of C-atoms in metabolism. Decarboxylation rates were significant at low light (including above the Kok break point) and increased with decreasing irradiance below 100 µmol photons m –2 s –1 . The variation in several metabolite pools such as malate, fumarate or citrate, and flux calculations suggest the involvement of several decarboxylating pathways in the Kok effect, including the malic enzyme. Our results show that day respiratory CO 2 evolution plays an important role in the Kok effect. Furthermore, the increase in the apparent quantum yield of photosynthesis below the Kok break point is also probably related to malate metabolism, which participates in maintaining photosynthetic linear electron flow.

54 ENVIRONMENTAL SCIENCES↗