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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Strongly Correlated Exciton-Magnetization System for Optical Spin Pumping in CrBr 3 and CrI 3 .

Ferromagnetism in van der Waals systems, preserved down to a monolayer limit, attracted attention to a class of materials with general composition CrX 3 (X=I, Br, Cl), which are treated now as canonical two-dimensional ferromagnets. Their diverse magnetic properties, such as different easy axes or varying and controllable character of in-plane or interlayer ferromagnetic coupling, make them promising candidates for spintronic, photonic, optoelectronic, and other applications. Still, significantly different magneto-optical properties between the three materials, have been presenting a challenging puzzle for researchers over the last few years. Herewith, we demonstrate that despite similar structural and magnetic configurations, the coupling between excitons and magnetization is qualitatively different in CrBr 3 and CrI 3 films. Through a combination of the optical spin pumping experiments with the state-of-the-art theory describing bound excitonic states in the presence of magnetization, we concluded that the hole-magnetization coupling has the opposite sign in CrBr 3 and CrI 3 and also between the ground and excited exciton state. Consequently, we demonstrate efficient spin pumping capabilities in CrBr 3 driven by magnetization via spin-dependent absorption and unraveled the different origins of the magnetic hysteresis in CrBr 3 and CrI 3 are unraveled

36 MATERIALS SCIENCE↗
DOE OSTI2025

Should I stay or should I flow? An exploration of phase‐separated metallosupramolecular liquid crystal polymers

Abstract Dynamic liquid crystalline polymers (dLCPs) incorporate both liquid crystalline mesogens and dynamic bonds into a single polymeric material. These dual functionalities impart order‐dependent thermo‐responsive mechano‐optical properties and enhanced reprocessability/programmability enabling their use as soft actuators, adaptive adhesives, and damping materials. While many previous works studying dynamic LCPs utilize dynamic covalent bonds, metallosupramolecular bonds provide a modular platform where a series of materials can be accessed from a single polymeric feedstock through the variation of the metal ion used. A series of dLCPs were prepared by the addition of metal salts to a telechelic 2,6‐bisbenzimidazolylpyridine (Bip) ligand endcapped LCP to form metallosupramolecular liquid crystal polymers (MSLCPs). The resulting MSLCPs were found to phase separate into hard and soft phases which aids in their mechanical robustness. Variations of the metal salts used to access these materials allowed for control of the thermomechanical, viscoelastic, and adhesive properties with relaxations that can be tailored independently of the mesogenic transition. This work demonstrates that by accessing phase separation through the incorporation of metallosupramolecular moieties, highly processable yet robust MSLCP materials can be realized. This class of materials opens the door to LCPs with bulk flow behavior that can also be utilized as multi‐level adhesives.

Chemistry↗
DOE OSTI2025

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Unraveling the correlation between strain engineering with anisotropic optical properties via nanoscale defects gradually evolved into a strategy for fundamental studies and technological applications, yet it remains understudied in functional complex oxides compared to metals and semiconductors. Here, the methodology of strain engineering for the determination of the lattice parameters, parallel/normal to the sample surface, in the individual layers of single-crystalline superlattices is derived, which is based on analysis of high-angle X-ray diffraction measurements in combination with diffraction reciprocal space mapping. With modeling that takes into account the effect of elastic properties, two elastically anisotropic materials, SrTiO 3 and ZrO 2 , have been compared in terms of defect-induced elastic strain caused by individual and sequential H + and He 2+ irradiation. The anisotropic lattice swelling with corresponding refractive index, and obstructive behavior of elastic strain recovery are demonstrated in SrTiO 3 , while approaching strain behaviors accompanied by isotropic refractive index distribution in both orientations are confirmed in ZrO 2 . Under sequential He 2+ /H + irradiation, pre-existing He-vacancy complexes acted as vacancy traps, preferentially capturing H + clusters to induce lattice distortion and enhance absorption. Nanohardness increments (ΔH) calculated by the DBH model matched nanoindentation results, confirming that sequential irradiation generated higher indentation yield stress than individual irradiations.

Anisotropic expansion↗
DOE OSTI2022

Tunable band gaps and optical absorption properties of bent MoS2 nanoribbons

Abstract The large tunability of band gaps and optical absorptions of armchair MoS 2 nanoribbons of different widths under bending is studied using density functional theory and many-body perturbation GW and Bethe–Salpeter equation approaches. We find that there are three critical bending curvatures, and the non-edge and edge band gaps generally show a non-monotonic trend with bending. The non-degenerate edge gap splits show an oscillating feature with ribbon width n , with a period $$\Delta n=3$$ Δ n = 3 , due to quantum confinement effects. The complex strain patterns on the bent nanoribbons control the varying features of band structures and band gaps that result in varying exciton formations and optical properties. The binding energy and the spin singlet–triplet split of the exciton forming the lowest absorption peak generally decrease with bending curvatures. The large tunability of optical properties of bent MoS 2 nanoribbons is promising and will find applications in tunable optoelectronic nanodevices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

UV hybrid photon detector based on GaN photocathodes and Si low gain avalanche diode

Photon detectors featuring single-photon sensitivity play a crucial role in various scientific domains, including high-energy physics, astronomy, and quantum optics. Fast response time, high quantum efficiency, and minimal dark counts are the characteristics that render them ideal candidates for detecting individual photons with exceptional signal-to-noise ratios, at frequencies in the range of hundreds of MHz. Here, in this study, we report on our first design and operational results on a Hybrid Photon Detector (HPD) that combines the high quantum efficiency of a Gallium Nitride (GaN) photocathode and the low noise characteristics of a Si-based Low-Gain Avalanche Diode (LGAD). This hybrid detection scheme has the potential to reach single-photon detection sensitivity with high quantum efficiency, low noise levels and capable of operating at hundreds of MHz repetition rates.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Superconducting dome in ferroelectric-type materials from soft mode instability

Here we present a minimal theory of superconductivity enhancement in ferroelectric-type materials. Simple expressions for the optical mode responsible for the soft mode transition are assumed. A key role is played by the anharmonic phonon damping which is modulated by an external control parameter (electron doping or mechanical strain) causing the appearance of the soft mode. It is shown that the enhancement in the superconducting critical temperature T c upon approaching the ferroelectric transition from either side is due to the Stokes electron-phonon scattering processes promoted by strong phonon damping effects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Excitons in periodic potentials

The energy band structure of excitons is studied in periodic potentials produced by the short-range interaction between the exciton and electrons of Wigner lattices. Treating the exciton as a pointlike dipole that interacts with the periodic potential, we can solve a simple one-body problem that provides valuable information on excitons in many-body problem settings. By employing group theory, we identify the excitonic energy bands that can couple to light and then quantify their energy shifts in response to a change in the period of the potential. This approach allows us to emulate the response of optically active exciton and trion states to a change in electron density. In agreement with experimental results, the exciton (trion) state shows a relatively strong (weak) energy shift when the electron density increases. This behavior stems from the difficulty of exciton states to remain extended, whereas the trion state remains largely the same as long as its radius is smaller than the average distance between resident electrons. Here, we identify an important relation between the energy blueshift of bright excitons and the presence of a Wigner crystal, where the blueshift magnitude is proportionate to the symmetry of the electron lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Bending as a control knob for the electronic and optical properties of phosphorene nanoribbons

We have assessed mechanical bending as a powerful controlling tool for the electronic structure and optical properties of phosphorene nanoribbons. We use state-of-the-art density functional approximations in our work. The overall performance of the recently developed meta-generalized gradient approximation (meta-GGA) mTASK [Phys. Rev. Materials 5, 063803 (2021)] functional establishes the method as a useful alternative to the screened hybrid HSE06 for better band gaps of phosphorene nanoribbons. We present a detailed analysis to interpret the optical absorption of bent phosphorene nanoribbons using the GW-Bethe-Salpeter approximation. Finally, we demonstrate the important role of the unoccupied in-gap state and conclude that this in-gap state in armchair nanoribbons introduced by bending can significantly affect the properties of low-energy excitons and add some useful opportunities for applications in optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Quantitative Nonlinear Optical Polarimetry with High Spatial Resolution

Nonlinear optical microscopy such as in the optical second-harmonic generation (SHG) modality has become a popular tool today for probing materials in the physical and biological sciences. While imaging and spectroscopy are widely used in the microscopy mode, nonlinear polarimetry, which can shed light on materials’ symmetry and microstructure, is relatively underdeveloped. This is partly because quantitative analytical modeling of the optical SHG response for anisotropic crystals and films largely assumes low-numerical aperture (NA) focusing of light, where the plane-wave approximation is sufficient. Tight focusing provides unique benefits in revealing out-of-plane polarization responses, which cannot be detected by near-plane-wave illumination at normal incidence. Here, we outline a method for quantitatively analyzing SHG polarimetry measurements obtained under high-NA focusing within a microscope geometry. Experiments and simulations of a variety of standard samples, from single crystals to thin films, are in good agreement, including measured and simulated spatial SHG maps of ferroelectric domains. A solution to the inverse problem is demonstrated, where the spatial distribution of an SHG tensor with unknown tensor coefficient magnitudes is determined by experimentally measured polarimetry. The ability to extract the out-of-plane component of the nonlinear polarization in normal incidence is demonstrated, which can be valuable for high-resolution polarimetry of 2D materials, thin films, heterostructures, and uniaxial crystals with a strong out-of-plane response.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Carrier Dynamics of Polar, Semipolar, and Nonpolar InGaN/GaN LEDs Measured by Small-Signal Electroluminescence

The carrier dynamics in InGaN/GaN light-emitting diodes (LEDs) are directly tied to their efficiency and maximum modulation speed, which are important metrics for solid-state lighting, displays, and optical communication. In this work, we measure the carrier dynamics of a variety of InGaN/GaN LEDs using small-signal electroluminescence methods [1]. A rate equation approach and associated small-signal circuit are used to model carrier injection, recombination in the active region, recombination in the cladding regions, and carrier escape. The model is fit to the measured optical frequency response (S21) and input impedance (S11) of the LEDs to extract the various carrier lifetimes, the carrier density, and the radiative and non-radiative recombination rates. We specifically study planar nonpolar and semipolar LEDs, which show record-high modulation speeds for III-nitride LEDs and present the modulation characteristics of core-shell nanowire-based LEDs. The planar nonpolar m-plane ($101\bar{0}$) micro-LEDs achieve a record-high -3dB modulation bandwidth for a III-nitride LED of 1.5 GHz [2]. The -3dB response of an electrically injected nanowire-based micro-LED with nonpolar facets is also reported, showing a -3dB bandwidth of 1.2 GHz [3]. The high speed is attributed to the shorter carrier lifetime associated with the nonpolar orientation. We also study the carrier dynamics in semipolar ($20\bar{2}\bar{1}$) LEDs for various temperatures [4]. Finally, we present carrier dynamics measurements on commercial-grade c-plane epitaxy for various active region designs, including a wavelength series and a growth quality series. The wavelength series offers insight into the contributions of the quantum confined Stark effect (QCSE) and InGaN material quality on the green gap [5]. The growth quality series investigates the role of non-radiative centers on the LED performance. Extraction of the carrier dynamics using small-signal electroluminescence offers insight into the factors limiting the efficiency and high-speed performance of III-nitride emitters and can be leveraged to ultimately improve the devices.

LEDs, InGaN, electroluminescence, bandwidth, modul↗
DOE OSTI2023

Carrier Dynamics of Polar, Semipolar, and Nonpolar InGaN/GaN LEDs Measured by Small-Signal Electroluminescence

The carrier dynamics in InGaN/GaN LEDs are directly tied to their efficiency and maximum modulation speed, which are important metrics for solid-state lighting, displays, and optical communication. We measure the carrier dynamics of nonpolar, semipolar, and commercial c-plane InGaN/GaN LEDs using small-signal electroluminescence methods. Rate equations and a small-signal circuit are used to model the carrier dynamics. The model is fit to the optical frequency response and input impedance of the LEDs to extract the carrier lifetimes and the recombination rates. The results offer insight into the underlying causes of efficiency droop and the green gap, and inform device design strategies.

42 ENGINEERING↗
DOE OSTI2024

Apparatuses and methods for optical code-delay reflectometry (OcoDR)

Apparatuses and methods for optical code-delay reflectometry (OCoDR) are disclosed. An apparatus includes a modulator, a receiver, and control circuitry. The modulator is configured to receive incident electromagnetic (EM) radiation at a substantially fixed frequency generated by one or more EM radiation sources. The incident EM radiation includes continuous-wave EM radiation. The modulator is configured to impart a sequence onto an amplitude, a phase, or both of the incident EM radiation to generate modulated EM radiation. The modulated EM radiation includes continuous-wave EM radiation. The receiver is configured to receive reference EM radiation. The receiver is also configured to receive reflected EM radiation from an optical system responsive to the modulated EM radiation and generate interfered EM radiation responsive to the reference EM radiation and the reflected EM radiation. The receiver is further configured to generate a continuous interferogram responsive to the interfered EM radiation.

Seeley, Ryan↗
DOE OSTI2023

The LIGO HET Response (LIGHETR) Project to Discover and Spectroscopically Follow Optical Transients Associated with Neutron Star Mergers

The LIGO HET Response (LIGHETR) project is an enterprise to follow up optical transients (OTs) discovered as gravitational-wave merger sources by the LIGO/Virgo collaboration (LVC). Early spectroscopy has the potential to constrain crucial parameters such as the aspect angle. The LIGHETR collaboration also includes the capacity to model the spectroscopic evolution of mergers to facilitate a real-time direct comparison of models with our data. The principal facility is the Hobby–Eberly Telescope. LIGHETR uses the massively replicated VIRUS array of spectrographs to search for associated OTs and obtain early blue spectra, and in a complementary role, the low-resolution LRS2 spectrograph is used to obtain spectra of viable candidates as well as a densely sampled series of spectra of true counterparts. Once an OT is identified, the anticipated cadence of spectra would match or considerably exceed anything achieved for GW170817 = AT2017gfo for which there were no spectra in the first 12 hr and thereafter only roughly once daily. We describe special HET-specific software written to facilitate the program and attempts to determine the flux limits to undetected sources. We also describe our campaign to follow up OT candidates during the third observational campaign of the LIGO and Virgo Scientific Collaborations. We obtained VIRUS spectroscopy of candidate galaxy hosts for five LVC gravitational-wave events and LRS2 spectra of one candidate for the OT associated with S190901ap. We identified that candidate, ZTF19abvionh = AT2019pip, as a possible Wolf–Rayet star in an otherwise unrecognized nearby dwarf galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Optical transparency of LiF (100) shock compressed to ∼360 GPa

High-purity [100] lithium fluoride (LiF) is the most widely used optical window in dynamic compression experiments due to its wide bandgap and well-characterized mechanical response. Recent plate-impact experiments established the [100] LiF Hugoniot to ∼230 GPa and demonstrated shock-induced melting onset at 182 GPa with complete melting by 195 GPa; theoretical models predict LiF optical transparency to nearly 900 GPa. To experimentally examine the optical transparency of [100] LiF at higher pressures and in the liquid state, laser-driven shock experiments were performed at peak stresses ranging from 223 to 363 GPa. Optical response was examined by measuring the particle velocity histories at the Kapton/LiF interface using laser interferometry at 532 and 1550 nm wavelengths; in-material particle velocities were obtained using established refractive-index corrections. Continuous photonic Doppler velocimetry fringes were observed across the entire stress range, demonstrating that LiF remains transparent to 1550 nm light throughout the multi-megabar regime investigated. At 532 nm, fringe visibility depended on the reflector coating: aluminum mirrors provided signals to ∼235 GPa, while gold mirrors extended this limit to 270.5 GPa, indicating that the shorter-wavelength response is likely sensitive to experimental configuration rather than to the loss of LiF transparency. Continued optical transparency to at least 360 GPa indicates that shock-melted LiF does not display bandgap closure over the stress range explored. Furthermore, these results provide direct experimental constraints on the high-pressure optical response and establish LiF (100) as a robust optical window material for laser-driven dynamic compression experiments approaching 400 GPa.

Renganathan, P. [Argonne National Laboratory (ANL)↗
DOE OSTI2020

Broadband Ultrafast Dynamics of Refractory Metals: TiN and ZrN

Transition metal nitrides have recently gained attention in the fields of plasmonics, plasmon-enhanced photocatalysis, photothermal applications, and nonlinear optics because of their suitable optical properties, refractory nature, and large laser damage thresholds. Here we report comparative studies of the transient response of films of titanium nitride (TiN), zirconium nitride (ZrN), and gold (Au) under femtosecond excitation. Broadband transient optical characterization helps to adjudicate earlier, somewhat inconsistent reports regarding hot electron lifetimes based upon single wavelength measurements. These pump–probe experiments show sub-picosecond transient dynamics only within the epsilon-near-zero window of the refractory metals. The dynamics are dominated by photoinduced interband transitions resulting from ultrafast electron energy redistribution. The enhanced reflection modulation in the epsilon-near-zero window makes it possible to observe the ultrafast optical response of these films at low pump fluences. These results indicate that electron–phonon coupling in TiN and ZrN is 25–100 times greater than in Au. Strong electron–phonon coupling drives the sub-picosecond optical response and facilitates greater lattice heating compared to Au, making TiN and ZrN promising for photothermal applications. The spectral response and dynamics of TiN and ZrN are only weakly sensitive to pump fluence and pump excitation energy. However, the magnitude of the response is much greater at higher pump photon energies and higher fluences, reaching peak observed values of 15% in TiN and 50% in ZrN in the epsilon-near-zero window.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Hybrid Organic Inorganic Perovskites: Physical Properties and Applications (in 4 Volumes)

This four-volume handbook gives a state-of-the-art overview of hybrid organic inorganic perovskites, both two dimensional (2D) and three dimensional (3D), from synthesis and characterization and simulation to optoelectronic devices (such as solar cells and light emitting diodes), spintronics devices and catalysis application. The editors, coming from academia and national laboratory, are known for their didactic skills as well as their technical expertise. Coordinating the efforts of 30 expert authors in 21 chapters, they construct the story of hybrid perovskite structural and optical properties, electronic and spintronic response, laser action, and catalysis from varied viewpoints: materials science, chemical engineering, and energy engineering. The four volumes are arranged according to the focus material properties. Volume 1 is focused on the material physical properties including structure, deposition characteristic and the structure of the electronic bands and excitons of these compounds. Volume 2 covers the hybrid perovskite optical properties including the ultrafast optical response, photoluminescence and laser action. Volume 3 contains the spin response of these compounds including application such as spin valves, photogalvanic effect, and magnetic response of light emitting diodes and solar cell devices. Finally, and highly relevant to tomorrow's energy challenges, volume 4 is focused on the physics and device properties of the most relevant applications of the hybrid perovskites, namely photovoltaic solar cells. The text contains many high-quality colorful illustrations and examples, as well as thousands of up-to-date references to peer-reviewed articles, reports and websites for further reading. This comprehensive and well-written handbook is a must-have reference for universities, research groups and companies working with the hybrid organic inorganic perovskites.

applications↗
DOE OSTI2020

Spin-Canting-Induced Band Reconstruction in the Dirac Material Ca 1 – x Na x MnBi 2

The ternary A MnBi 2 ( A is alkaline as well as rare-earth atom) materials provide an arena for investigating the interplay between low-dimensional magnetism of the antiferromagnetic MnBi layers and the electronic states in the intercalated Bi layers, which harbor relativistic fermions. We report on a comprehensive study of the optical properties and magnetic torque response of Ca 1–x Na x MnBi 2 . Our findings give evidence for a spin canting occurring at T s ~50–100 K. Thus, with the support of first-principles calculations we establish a direct link between the spin canting and the reconstruction of the electronic band structure, having immediate implications for the spectral weight reshuffling in the optical response, signaling a partial gapping of the Fermi surface, and the dc transport properties below T s .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Optical fiber based sensing for smart electrical cables and distributed radiation detection

A cable device includes a sheath member, a number of electrical cables provided within the sheath member, and an optical fiber sensing member provided within the sheath member. The optical fiber sensing member includes a functionalized optical fiber based sensor device structured to exhibit a change in one or more optical properties in response to changes in a parameter of interest. Also, a method of sensing radiation includes introducing a source light into an optical fiber sensing member provided within a structure, wherein the optical fiber sensing member comprises a functionalized optical fiber based sensor device structured to exhibit a change in one or more optical properties in response to radiation, detecting sensing light generated in response to the source light, and determining a radiation level at a plurality of locations within the structure using the detected sensing light and a distributed sensing scheme.

Chen, Peng Kevin↗