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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Quantifying Twist Angles in Cuprate Heterostructures with Anisotropic Raman Signatures

Artificially engineered twisted van der Waals (vdW) heterostructures have unlocked new pathways for exploring emergent quantum phenomena and strongly correlated electronic states. Many of these phenomena are highly sensitive to the twist angle, which can be deliberately tuned to tailor the interlayer interactions. This makes the twist angle a critical tunable parameter, emphasizing the need for precise control and accurate characterization during device fabrication. In particular, twisted cuprate heterostructures based on Bi 2 Sr 2 CaCu 2 O 8 + x (BSCCO) have demonstrated angle-dependent superconducting properties, positioning the twist angle as a key tunable parameter. However, the twisted interface is highly unstable under ambient conditions and vulnerable to damage from conventional characterization tools such as electron microscopy or scanning probe techniques. In this work, a fully non-invasive, polarization-resolved Raman spectroscopy approach is introduced for determining twist angles in artificially stacked BSCCO heterostructures. By analyzing twist-dependent anisotropic vibrational Raman modes, particularly utilizing the out-of-plane A 1g vibrational mode of Bi/Sr at ≈116 cm −1 , clear optical fingerprints of the rotational misalignment between cuprate layers are identified. The high-resolution confocal Raman setup, equipped with polarization control and RayShield filtering down to 10 cm −1 , allows for reliable and reproducible measurements without compromising the material's structural integrity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Pressure Effects on the Electronic and Optical Properties in Low-Dimensional Metal Halide Perovskites

Metal halide perovskites have shown enormous potential in perovskite solar cells and light-emitting diodes and made unprecedented progress in the past decade. Additionally, pressure engineering as an effective technique can systematically modify the electronic structures and physical properties of functional materials. Low-dimensional metal halide perovskites (0D, 1D, and 2D) with a variety of compositions have soft lattices that allow pressure to drastically modulate their structures and properties. High-pressure investigations have obtained a comprehensive understanding of their structure–property relationships. Simultaneously, discoveries of novel pressure-driven properties, such as metallization and partially retained band gap narrowing have contributed significantly to the further development of such materials. In this work, we mainly highlight the effect of pressure on the properties and structures of low-dimensional metal halide perovskites, which is essential for designing new perovskite materials and advancing applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A series of Rb 4 Ln 2 (P 2 S 6 )(PS 4 ) 2 (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P V S 4 ] 3- and [P IV 2 S 6 ] 4-

A series of rubidium rare earth thiophosphates with the formula Rb 4 Ln 2 (P 2 S 6 )(PS 4 ) 2 (Ln = La, Ce, Pr, Nd, Sm, and Gd) were synthesized using the high temperature molten flux crystal growth method utilizing a RbBr flux. Single crystals of all title compounds, as well as phase pure powders of the La-, Ce-, and Sm-containing compositions, were obtained. Single crystals of the title compounds were characterized by single crystal and powder X-ray diffraction for structure and phase identification. Rb 4 Ln 2 (P 2 S 6 )(PS 4 ) 2 crystallizes in the monoclinic crystal system adopting the P2 1 /n space group for the large rare earths (Ln = La, Ce, Pr) and the C2/c space group for the smaller rare earths (Ln = Nd, Sm, Gd). This Rb 4 Ln 2 (P 2 S 6 )(PS 4 ) 2 series is a rare example of thiophosphates containing both tetrahedral [P V S 4 ] 3– and dimeric [P IV 2 S 6 ] 4– thiophosphate units that, in this structural family, link corrugated rare earth sulfide chains into sheets. Here, the band gaps of the materials were determined from UV–Vis data and the fluorescence spectrum of Rb 4 Ce 2 (P 2 S 6 )(PS 4 ) 2 was collected. Optical band gaps were estimated to be 2.9 and 2.4 for the Nd and Sm analogues, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Correlating structural changes in thermoresponsive hydrogels to the optical response of embedded plasmonic nanoparticles

Stimuli-responsive microgels, composed of small beads with soft, deformable polymer networks swollen through a combination of synthetic control over the polymer and its interaction with water, form a versatile platform for development of multifunctional and biocompatible sensors. The interfacial structural variation of such materials at a nanometer length scale is essential to their function, but not yet fully comprehended. Here, we take advantage of the plasmonic response of a gold nanorod embedded in a thermoresponsive microgel (AuNR@PNIPMAm) to monitor structural changes in the hydrogel directly near the nanorod surface. By direct comparison of the plasmon response against measurements of the hydrogel structure from dynamic light scattering and nuclear magnetic resonance, we find that the microgel shell of batch-polymerized AuNR@PNIPMAm exhibits a heterogeneous volume phase transition reflected by different onset temperatures for changes in the hydrodyanmic radius (R H ) and plasmon resonance, respectively. The new approach of contrasting plasmonic response (a measure of local surface hydrogel structure) with R H and relaxation times paves a new path to gain valuable insight for the design of plasmonic sensors based on stimuli-responsive hydrogels.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Insulators at fractional fillings in twisted bilayer graphene partially aligned to hexagonal boron nitride

At partial fillings of its flat electronic bands, magic-angle twisted bilayer graphene (MATBG) hosts a rich variety of competing correlated phases that show sample-to-sample variations. Divergent phase diagrams in MATBG are often attributed to the sublattice polarization energy scale, tuned by the degree of alignment of the hexagonal boron nitride (hBN) substrates typically used in van der Waals devices. Unaligned MATBG exhibits unconventional superconductor and correlated insulator phases, while nearly perfectly aligned MATBG/hBN exhibits zero-field Chern insulating phases and lacks superconductivity. Here we use scanning tunneling microscopy and spectroscopy (STM/STS) to observe gapped phases at partial fillings of the flat bands of MATBG in a new intermediate regime of sublattice polarization, observed when MATBG is only partially aligned (θ Gr-hBN ≈ 1.65°) to the underlying hBN substrate. Under this condition, MATBG hosts not only phenomena that naturally interpolate between the two sublattice potential limits, but also unexpected gapped phases absent in either of these limits. At charge neutrality, we observe an insulating phase with a small energy gap (Δ < 5 meV) likely related to weak sublattice symmetry breaking from the hBN substrate. In addition, we observe new gapped phases near fractional fillings ν = ±1/3 and ν = ±1/6, which have not been previously observed in MATBG. Importantly, energy-resolved STS unambiguously identifies these fractional filling states to be of single-particle origin, possibly a result of the super-superlattice formed by two moiré superlattices. Finally, our observations emphasize the power of STS in distinguishing single-particle gapped phases from many-body gapped phases in situations that could be easily confused in electrical transport measurements, and demonstrate the use of substrate engineering for modifying the electronic structure of a moiré flat-band material.

Physics↗
DOE OSTI2021

Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods

Here, we have used highly accurate quantum Monte Carlo methods to determine the chemical structure and electronic band gaps of monolayer GeSe. Two-dimensional (2D) monolayer GeSe has received a great deal of attention due to its unique thermoelectric, electronic, and optoelectronic properties with a wide range of potential applications. Density functional theory (DFT) methods have usually been applied to obtain optical and structural properties of bulk and 2D GeSe. For the monolayer, DFT typically yields a larger band-gap energy than for bulk GeSe but cannot conclusively determine if the monolayer has a direct or indirect gap. Moreover, the DFT-optimized lattice parameters and atomic coordinates for monolayer GeSe depend strongly on the choice of approximation for the exchange-correlation functional, which makes the ideal structure-and its electronic properties-unclear. In order to obtain accurate lattice parameters and atomic coordinates for the monolayer, we use a surrogate Hessian-based parallel line search within diffusion Monte Carlo to fully optimize the GeSe monolayer structure. The DMC-optimized structure is different from those obtained using DFT, as are calculated band gaps. The potential energy surface has a shallow minimum at the optimal structure. This, combined with the sensitivity of the electronic structure to strain, suggests that the optical properties of monolayer GeSe are highly tunable by strain.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Electrostatically formed antennas

The electrostatically controlled membrane mirror (ECMM) is a way to achieve large, very light reflectors for radar, radio astronomy, radiometry, and optical devices. The concept is that of using electrostatic forces to tension a thin conducting membrane and to maintain it in a precision antenna shape. The ECMM is an adaptive structure which maintains surface quality despite errors in construction, irregularities of materials, solar heating, and onboard disturbances. The combination of high gain and low mass makes the ECMM ideally suited for space applications.

Mihora, D. J.↗
NASA NTRS1999

Technology Demonstrator for Direct Polishing of a 50cm C/SiC Ultra Light Mirror

The NRSU portion of the contract was completed on schedule and within acceptable limits of the estimated cost. The lapping of the substrate started on schedule, and completed ahead of schedule. The polishing of the substrate was begun ahead of schedule, and was completed approximately one month ahead of schedule. It is our opinion that the substrate meets the requirements of "diffraction limited performance at 2 microns" over the measured 16 in. area. The final photos suggest that there may be edge roll-off beyond the 16 in. diameter. However, we cannot quantify this. It is our opinion that this material is suitable for use in lightweight optics as long as cladding of some type is used (Silicon, SiC, Sol-Gel, etc), as the bare material itself is too "porous" to obtain a high quality finish. We feel that this part was at the low limit of structural integrity required to mechanically polish to this level of figure requirement. Any lesser structural integrity would require some form of "non contact" figuring.

Scribner, Ken↗
NASA NTRS2011

Low-Outgassing Photogrammetry Targets for Use in Outer Space

A short document discusses an investigation of materials for photogrammetry targets for highly sensitive optical scientific instruments to be operated in outer space and in an outer-space-environment- simulating thermal vacuum chamber on Earth. A key consideration in the selection of photogrammetry-target materials for vacuum environments is the need to prevent contamination that could degrade the optical responses of the instruments. Therefore, in addition to the high levels and uniformity of reflectivity required of photogrammetry-target materials suitable for use in air, the materials sought must exhibit minimal outgassing. Commercially available photogrammetry targets were found to outgas excessively under the thermal and vacuum conditions of interest; this finding prompted the investigators to consider optically equivalent or superior, lower-outgassing alternative target materials. The document lists several materials found to satisfy the requirements, but does not state explicitly whether the materials can be used individually or must be combined in the proper sequence into layered target structures. The materials in question are an aluminized polyimide tape, an acrylic pressure- sensitive adhesive, a 500-A-thick layer of vapor-deposited aluminum, and spherical barium titanate glass beads having various diameters from 20 to 63 microns..

Gross, Jason N.↗
DOE OSTI2024

Excitation protocols for nonlinear phononics in bismuth and antimony

Here, we study the optical generation and control of coherent phonons in elemental bismuth (Bi) and antimony (Sb) using a classical equation of motion informed by first-principles calculations of the potential energy surface and the frequency-dependent macroscopic dielectric function along the zone-centered optical phonon coordinates. Using this approach, we demonstrate that phonons with the largest optomechanical couplings also have the strongest degree of anharmonicity among the zone-centered modes, a result of the broken-symmetry structural ground state of Bi and Sb. We show how this anharmonicity, explaining the light-induced phonon softening observed in experiments, prevents the application of standard phonon-amplification and annihilation protocols. We introduce a simple linearization protocol that extends the use of such protocols to the case of anharmonic phonons in broken-symmetry materials, and demonstrate its efficiency at high displacement amplitudes. Our formalism and results provide a path for improving optical control in nonlinear phononics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct Optical Lithography of Colloidal Metal Oxide Nanomaterials for Diffractive Optical Elements with 2π Phase Control

Spatially patterned dielectric materials are ubiquitous in electronic, photonic, and optoelectronic devices. These patterns are typically made by subtractive or additive approaches utilizing vapor-phase reagents. On the other hand, recent advances in solution-phase synthesis of oxide nanomaterials have unlocked a materials library with greater compositional, microstructural, and interfacial tunability. However, methods to pattern and integrate these nanomaterials in real-world devices are less established. In this work, we directly optically pattern oxide nanoparticles (NPs) by mixing them with photosensitive diazo-2-naphthol-4-sulfonic acid and irradiating with widely available 405 nm light. We demonstrate the direct optical lithography of ZrO 2 , TiO 2 , HfO 2 , and ITO NPs and investigate the chemical and physical changes responsible for this photoinduced decrease in solubility. Micron-thick layers of amorphous ZrO 2 NPs were patterned with micron resolution and shown to allow 2 pi phase control of visible light. We also show multilayer patterning and use it to fabricate features with different thicknesses and distinct structural colors. Upon annealing at 400 degrees C, the deposited ZrO 2 structures have excellent optical transparency across a wide wavelength range (0.3-10 mu m), a high refractive index (n = 1.84 at 633 nm), and are optically smooth. We then fabricate diffractive optical elements, such as binary phase diffraction gratings, that show efficient diffractive behavior and good thermal stability. Different oxide NPs can also be mixed prior to patterning, providing a high level of material tunability. This work demonstrates a general patterning approach that harnesses the processability and diversity of colloidal oxide nanomaterials for use in photonic applications.

2𝜋 phase shift↗
DOE OSTI2023

Large Enhancements in Optical and Piezoelectric Properties in Ferroelectric Zn 1- x Mg x O Thin Films through Engineering Electronic and Ionic Anharmonicities

Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity can, for example, enable broadband, strain-tunable photonics. Though very different phenomena at distinct frequencies, both second-order optical nonlinearity and piezoelectricity are third-rank polar tensors present only in acentric crystal structures. However, simultaneously enhancing both phenomena is highly challenging since it involves competing effects with tradeoffs. Recently, a large switchable ferroelectric polarization of ≈80 μC cm –2 was reported in Zn 1-x Mg x O films. Here, ferroelectric Zn 1-x Mg x O is demonstrated to be a platform that hosts simultaneously a 30% increase in the electronic bandgap, a 50% enhancement in the second harmonic generation (SHG) coefficients, and a near 200% improvement in the piezoelectric coefficients over pure ZnO. These enhancements are shown to be due to a 400% increase in the electronic anharmonicity and a ≈200% decrease in the ionic anharmonicity with Mg substitution. Precisely controllable periodic ferroelectric domain gratings are demonstrated down to 800 nm domain width, enabling ultraviolet quasi-phase-matched optical harmonic generation as well as domain-engineered piezoelectric devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Indications for Lifshitz transitions in the nodal-line semimetal ZrSiTe induced by interlayer interaction

The layered material ZrSiTe is currently extensively investigated as a nodal-line semimetal with Dirac-like band crossings protected by nonsymmorphic symmetry close to the Fermi energy. A recent infrared spectroscopy study on ZrSiTe under external pressure found anomalies in the optical response, providing hints for pressure-induced phase transitions at ≈4.1 and ≈ 6.5GPa. By pressure-dependent Raman spectroscopy and x-ray diffraction measurements combined with electronic band structure calculations we find indications for two pressure-induced Lifshitz transitions with major changes in the Fermi surface topology in the absence of lattice symmetry changes. These electronic phase transitions can be attributed to the enhanced interlayer interaction induced by external pressure. Overall, our findings demonstrate the crucial role of the interlayer distance for the electronic properties of layered van der Waals topological materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Optical and microstructural characterization of Er 3+ doped epitaxial cerium oxide on silicon

Rare-earth ion dopants in solid-state hosts are ideal candidates for quantum communication technologies, such as quantum memories, due to the intrinsic spin–photon interface of the rare-earth ion combined with the integration methods available in the solid state. Erbium-doped cerium oxide (Er:CeO 2 ) is a particularly promising host material platform for such a quantum memory, as it combines the telecom-wavelength (~ 1.5 μm) 4f–4f transition of erbium, a predicted long electron spin coherence time when embedded in CeO 2 , and a small lattice mismatch with silicon. In this work, we report on the epitaxial growth of Er:CeO 2 thin films on silicon using molecular beam epitaxy, with controlled erbium concentration between 2 and 130 parts per million (ppm). We carry out a detailed microstructural study to verify the CeO 2 host structure and characterize the spin and optical properties of the embedded Er 3+ ions as a function of doping density. In as-grown Er:CeO 2 in the 2–3 ppm regime, we identify an EPR linewidth of 245(1) MHz, an optical inhomogeneous linewidth of 9.5(2) GHz, an optical excited state lifetime of 3.5(1) ms, and a spectral diffusion-limited homogeneous linewidth as narrow as 4.8(3) MHz. We test the annealing of Er:CeO 2 films up to 900 °C, which yields narrowing of the inhomogeneous linewidth by 20% and extension of the excited state lifetime by 40%.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Performance simulation of the soft gamma-ray concentrator

The soft gamma-ray concentrator is a telescope mission concept utilizing a suitable arrangement of bent multilayer structures of alternating low- and high-density materials. This lens is able to channel gamma-ray photons via total external reflection and concentrate the incident radiation to a point. The channeling technique offers the potential for concentrating gamma rays with focal lengths <10 m and energies >100 keV, beyond the reach of current grazing-incidence hard x-ray mirrors. For the performance estimation of such an instrument, we have developed a flexible set of computer modeling tools to compute the optical properties of multilayer structures, predict the channeling efficiency for a given multilayer configuration, and aid in the optimization of potential gamma-ray concentrator-based telescope designs. This modeling includes the multilayer optical properties calculated by the IMD software, the ray tracing using an IDL code, and the focal plane detector simulation by MEGAlib. We illustrate the potential of this approach by presenting simulated astronomical observations from a balloon-borne platform. The final result, including simulated effective area, instrument sensitivity, and polarization performance, shows that the gamma-ray concentrator will provide greatly increased sensitivity for next-generation soft gamma-ray missions with modest cost and complexity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

A New Method for Polishing Laminated Dissimilar Metals

Here, this paper presents a novel method for preparing metallographic samples of laminated dissimilar metals, specifically a layered structure of zirconium (Zr), vanadium (V), and tungsten (W), which pose a challenge due to their differing crystal structures and hardness levels. The work was motivated by the need to develop a cladding for tungsten targets in spallation neutron sources, where a zirconium face is applied over an interlayer of either vanadium or titanium to prevent the formation of brittle intermetallic compounds such as ZrW 2 . Traditional polishing techniques prove inadequate because each constituent metal requires a different polishing approach based on its unique material properties. The methodology outlined includes a sequential process involving conductive epoxy mounting, successive grinding and polishing with specific abrasives, and a final chemical-mechanical polish using a colloidal silica-based solution. Optical microscopy confirmed that this multi-step process successfully produced scratch-free surfaces and minimized surface relief across the different metal interfaces. Although developed for refractory metals, this approach shows promise for other layered structures comprised of transition metals, offering a meticulous yet effective technique for high-quality metallographic sample preparation.

Newberry, Daniel [Oak Ridge National Laboratory (O↗
DOE OSTI2020

Crystal Growth and Elemental Homogeneity of the Multicomponent Rare-Earth Garnet (Lu 1/6 Y 1/6 Ho 1/6 Dy 1/6 Tb 1/6 Gd 1/6 ) 3 Al 5 O 12

We report high-entropy aluminum garnets were grown as bulk single crystals using the micro-pulling-down method, taking the synthesis of complex ceramics a step further from the conventional preparation of polycrystalline materials. We studied the effects of growth parameters on the elemental distribution in high optical quality crystals of (Lu 1/6 Y 1/6 Ho 1/6 Dy 1/6 Tb 1/6 Gd 1/6 ) 3 Al 5 O 12 containing six cations (yttrium and rare-earths) taken in equimolar amounts. A single garnet structure was confirmed by powder X-ray diffraction. Electron microprobe measurements were obtained to correlate the radial distribution of rare-earth elements with pulling rates and molten zone height. The nature of the elemental distribution in the radial direction was associated with ionic radius: smaller rare-earths concentrated in the center of the crystal, while larger rare-earths segregated toward the outer edge of the cylindrical crystal. Faster pulling rates led to a flattening of the concentration profiles toward the nominal concentration, promoting a more homogeneous radial elemental distribution, while varying the molten zone height did not have a significant effect. The demonstrated success with crystal growth enables the practical availability of single crystals of multicomponent aluminum garnets for further discovery of new phenomena and applications.

36 MATERIALS SCIENCE↗