Periodic Atomic Displacements and Visualization of the Electron-Lattice Interaction in the Cuprate
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75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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Symmetry Breaking and Ascending in the Magnetic Kagome Metal FeGe
Spontaneous symmetry breaking—the phenomenon in which an infinitesimal perturbation can cause the system to break the underlying symmetry—is a cornerstone concept in the understanding of interacting solid-state systems. In a typical series of temperature-driven phase transitions, higher-temperature phases are more symmetric due to the stabilizing effect of entropy that becomes dominant as the temperature is increased. However, the opposite is rare but possible when there are multiple degrees of freedom in the system. Here, we present such an example of a symmetry-ascending phenomenon upon cooling in a magnetic kagome metal FeGe by utilizing neutron Larmor diffraction and Raman spectroscopy. FeGe has a kagome lattice structure with simple A-type antiferromagnetic order below Néel temperature T N ≈ 400 K and a charge density wave (CDW) transition at T CDW ≈ 110 K , followed by a spin-canting transition at around 60 K. In the paramagnetic state at 460 K, we confirm that the crystal structure is indeed a hexagonal kagome lattice. On cooling to around T N , the crystal structure changes from hexagonal to monoclinic with in-plane lattice distortions on the order of 10 − 4 and the associated splitting of the double-degenerate phonon mode of the pristine kagome lattice. Upon further cooling to T CDW , the kagome lattice shows a small negative thermal expansion, and the crystal structure gradually becomes more symmetric upon further cooling. A tendency of increasing the crystalline symmetry upon cooling is unusual; it originates from an extremely weak structural instability that coexists and competes with the CDW and magnetic orders. These observations are against the expectations for a simple model with a single order parameter and hence can only be explained by a Landau free energy expansion that takes into account multiple lattice, charge, and spin degrees of freedom. Thus, the determination of the crystalline lattice symmetry as well as the unusual spin-lattice coupling is a first step towards understanding the rich electronic and magnetic properties of the system, and it sheds new light on intertwined orders where the lattice degree of freedom is no longer dominant. Published by the American Physical Society 2024
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Single-shot hard X-ray spectrometer with uniform spatial and spectral response
We demonstrate a single-shot hard X-ray spectrometer based on small-angle scattering from glassy carbon that is insensitive to XFEL beam-dependent spatial and spectral variations. Comparison with established X-ray Thomson scattering diagnostics using stochastic correlation X-ray spectroscopy demonstrates full-bandwidth coverage with meV-scale spectral resolution, enabling reliable single-shot spectroscopic measurements.
47 OTHER INSTRUMENTATION↗
Field-Aged Glass/Backsheet and Glass/Glass PV Modules: Encapsulant Degradation Comparison
Ethylene vinyl acetate (EVA) is the predominant encapsulant in crystalline-silicon photovoltaic (PV) modules; however, its degradation is a subject of major concern, which causes significant power loss under field conditions. This article presents a comparison of EVA degradation in field-aged PV modules with glass/backsheet (G/B) and glass/glass (G/G) architectures. Modulelevel characterization included UV fluorescence imaging and I-V measurements. Material analytical techniques, including colorimetry, differential scanning calorimetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, and Raman spectroscopy, were performed to correlate the module performance parameters with EVA material properties. An intense EVA discoloration in G/G modules was observed, which was corroborated by higher module Isc and Pmax degradation rates compared with its counterpart G/B modules. Higher power degradation was accompanied by a significant increase in EVA crosslinking, vinyl acetate content, yellowness index, and presence of functional groups containing unsaturated moieties that are linked to degradation products of photothermal reaction, and a higher decrease in the degree of crystallinity. The absence of a polymeric backsheet in hermetically sealed G/G modules, which restricts photobleaching and enhances the entrapment of volatile acetic acid and other degradation by-products, plays a major role in causing higher EVA degradation in G/G modules. This article concludes that EVA might have been a good choice of an encapsulant for the G/B modules over the decades, but it may prove to be an inappropriate choice for the G/G modules because of potential degassing, corrosion, and/or discoloration issues. Ionomers or polyester-based encapsulants like polyolefins could be best suited for G/G modules as it appears to be a current trend in the industry.
14 SOLAR ENERGY↗
A scalable solid-state nanoporous network with atomic-level interaction design for carbon dioxide capture
Carbon capture and sequestration reduces carbon dioxide emissions and is critical in accomplishing carbon neutrality targets. Here, we demonstrate new sustainable, solid-state, polyamine-appended, cyanuric acid–stabilized melamine nanoporous networks (MNNs) via dynamic combinatorial chemistry (DCC) at the kilogram scale toward effective and high-capacity carbon dioxide capture. Polyamine-appended MNNs reaction mechanisms with carbon dioxide were elucidated with double-level DCC where two-dimensional heteronuclear chemical shift correlation nuclear magnetic resonance spectroscopy was performed to demonstrate the interatomic interactions. We distinguished ammonium carbamate pairs and a mix of ammonium carbamate and carbamic acid during carbon dioxide chemisorption. The coordination of polyamine and cyanuric acid modification endows MNNs with high adsorption capacity (1.82 millimoles per gram at 1 bar), fast adsorption time (less than 1 minute), low price, and extraordinary stability to cycling by flue gas. This work creates a general industrialization method toward carbon dioxide capture via DCC atomic-level design strategies.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Morphological Characterization of UO 2 F 2 and UF 4 Hydrolysis Products
Bulk samples of UO 2 F 2 and UF 4 were aged for 3 weeks under various relative humidity (RH) conditions to examine morphological changes associated with the hydrolysis of the materials. Aged samples were analyzed using scanning electron microscopy (SEM) to examine morphological changes, and Raman spectroscopy was used to correlate these changes with chemical composition. Little to no effect was evident for either material under lower RH conditions (i.e., 16% and 33%–38% RH). Under higher RH conditions (83% and 99%), multiple morphological changes were evident within the UO 2 F 2 samples because of the formation of hydrolysis products and possible interactions at the solid–vapor interface. Only one major morphological change was observed over the aging period—within the UF 4 system at 99% RH. This change can be attributed to the initial formation of anhydrous UO 2 F 2 and, subsequently, its hydrolysis products. After 37 weeks, UO 2 F 2 persisted as a hydrolysis product of UF4; however, no further hydrolysis products were observed. These results suggest that further research into a possible divergence of UF 4 and UO 2 F 2 degradation pathways is warranted.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Red edge measurements for remotely sensing plant chlorophyll content
The feasibility of using the wavelength of the maximum slope of the red edge of leaf reflectance spectra, Lambda(re), as an indication of plant chlorophyll status was examined in the laboratory for single leaves of several species. Lambda(re) for each sample was determined by derivative reflectance spectroscopy. A high positive correlation was found between Lambda(re) and leaf chlorophyll content for all species, although there were some differences in the quantitative nature of the relationship for plants of different types. The position of the red edge was found to be unaffected by simulated change in ground cover, but multiple leaf layers produced a shift in its position. Appropriate spectral measurements and processing for obtaining useful information from the red edge are discussed, and the potential of the red edge in relation to other spectral measurements is considered.
Horler, D. N. H.↗
Characterization of low thermal conductivity PAN-based carbon fibers
The microstructure and surface chemistry of eight low thermal conductivity (LTC) PAN-based carbon fibers were determined and compared with PAN-based fibers heat treated to higher temperatures. Based on wide-angle x ray diffraction, the LTC PAN fibers all appear to have a similar turbostratic structure with large 002 d-spacings, small crystallite sizes, and moderate preferred orientation. Limited small-angle x ray scattering (SAXS) results indicate that, with the exception of LTC fibers made by BASF, the LTC fibers do not have well developed pores. Transmission electron microscopy shows that the texture of the two LTC PAN-based fibers studied (Amoco T350/23X and /25X) consists of multiple sets of parallel, wavy, bent layers that interweave with each other forming a complex three dimensional network oriented randomly around the fiber axis. X ray photoelectron spectroscopy (XPS) analysis finds correlations between heat treated temperatures and the surface composition chemistry of the carbon fiber samples.
Katzman, Howard A.↗
Activation energy and capture cross section of majority carrier traps in Zn doped InP
Schottky barrier diodes were fabricated on Zn doped InP Wafers. The diodes were radiation damaged with 2 MeV protons to a dose of 2 x 10(exp 12)cm(sup -2). The damage was analyzed by DLTS (deep level transient spectroscopy) using the double correlation technique. Capture cross sections were measured directly. Two major defects were observed in the DLTS spectra. The first defect, was H4 at Ev + 0.29 eV, with capture cross section 1.1 x 10(exp -17)cm(sup 2). The second defect, was H5 at Ev + 0.53 eV. Its capture cross section varied with temperature as described by the relationship sigma = sigma(sub 0) exp(delta(E)/kT) where sigma(sub 0) = 1.3 x 10(exp -19)cm(sup 2) and delta(E) = .08 eV. This relationship yields a sigma of 5.9 x 10(exp -21)cm(sup 2) at room temperature. The surprisingly small capture cross section of H5 and its temperature dependence are discussed in terms of the multiphonon emission process for carrier capture at the defect. The advantages of the improved experimental techniques used are also discussed.
Rybicki, George↗
Optical Emission Characterization of High-Power Hall Thruster Wear
Optical emission spectroscopy is employed to correlate BN insulator erosion with high-power operation of the NASA 300M Hall-effect thruster. Actinometry leveraging excited xenon states is used to normalize the emission spectra of ground state boron as a function of thruster operating condition. Trends in the strength of the boron signal are correlated with thruster power, discharge voltage, discharge current and magnetic field strength. The boron signals are shown to trend with discharge current and show weak dependence on discharge voltage. The trends are consistent with data previously collected on the NASA 300M and NASA 457M thrusters but are different from conventional wisdom.
WIlliams, George J.↗
Optical Diagnostic Characterization of High-Power Hall Thruster Wear and Operation
Optical emission spectroscopy is employed to correlate BN insulator erosion with high-power Hall thruster operation. Specifically, actinometry leveraging excited xenon states is used to normalize the emission spectra of ground state boron as a function of thruster operating condition. Trends in the strength of the boron signal are correlated with thruster power, discharge voltage, and discharge current. In addition, the technique is demonstrated on metallic coupons embedded in the walls of the HiVHAc EM thruster. The OES technique captured the overall trend in the erosion of the coupons which boosts credibility in the method since there are no data to which to calibrate the erosion rates of high-power Hall thrusters. The boron signals are shown to trend linearly with discharge voltage for a fixed discharge current as expected. However, the boron signals of the higher-power NASA 300M and NASA 457Mv2 trend with discharge current and show an unexpectedly weak to inverse dependence on discharge voltage. Electron temperatures measured optically in the near-field plume of the thruster agree well with Langmuir probe data. However, the optical technique used to determine Te showed unacceptable sensitivity to the emission intensities. Near-field, single-frequency imaging of the xenon neutrals is also presented as a function of operating condition for the NASA 457 Mv2.
Williams, George J., Jr.↗
Two-tooth bosonic quantum comb for temporal-correlation sensing
We introduce a two-tooth bosonic quantum comb that captures the sequential interactions between a thermal absorber and a long-lived coherent probe. The comb provides a causal, multi-time description of coherence transport, tracking how the probe records both instantaneous fluctuations and their temporal correlations. Using a process-tensor formulation, we derive closed form expressions showing that interference between the two interaction windows generates a non-monotonic memory response that reflects a fundamental competition between the absorbers thermal population and its dynamical correlations. By sweeping the temporal separation between the interaction windows, the probe directly samples the absorbers population correlator, enabling bosonic noise spectroscopy that discriminates Markovian temperature noise from slow or spectrally structured fluctuations. The approach is readily compatible with circuit-QED platforms and offers a general method for probing fluctuating bosonic environments.
Zhu, Shaojiang [Fermilab]↗
Geomorphic Evidence for Martian Ground Ice and Climate Change
Recent results from gamma-ray and neutron spectrometers on Mars Odyssey indicate the presence of a hydrogen-rich layer tens of centimeters thick in the uppermost meter in high latitudes (>60 ) on Mars. This hydrogen-rich layer correlates to regions of ice stability. Thus, the subsurface hydrogen is thought to be water ice constituting 35+/- 15% by weight near the north and south polar regions. We refine the location of subsurface ice deposits at a < km scale by combining existing spectroscopy data with surface features indicative of subsurface ice. A positive correlation between spectroscopy data and geomorphic ice indicators has been previously suggested for high latitudes. Here we expand the comparative study to northern mid latitudes (30 deg.N- 65 deg.N).
Kanner, L. C.↗
Imaging dynamic exciton interactions and coupling in transition metal dichalcogenides
Transition metal dichalcogenides (TMDs) are regarded as a possible material platform for quantum information science and related device applications. In TMD monolayers, the dephasing time and inhomogeneity are crucial parameters for any quantum information application. In TMD heterostructures, coupling strength and interlayer exciton lifetimes are also parameters of interest. However, many demonstrations in TMDs can only be realized at specific spots on the sample, presenting a challenge to the scalability of these applications. Here, using multi-dimensional coherent imaging spectroscopy, we shed light on the underlying physics—including dephasing, inhomogeneity, and strain—for a MoSe 2 monolayer and identify both promising and unfavorable areas for quantum information applications. We, furthermore, apply the same technique to a MoSe 2 /WSe 2 heterostructure. Despite the notable presence of strain and dielectric environment changes, coherent and incoherent coupling and interlayer exciton lifetimes are mostly robust across the sample. This uniformity is despite a significantly inhomogeneous interlayer exciton photoluminescence distribution that suggests a bad sample for device applications. This robustness strengthens the case for TMDs as a next-generation material platform in quantum information science and beyond.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Geomorphic Evidence for Martian Ground Ice and Climate Change
Recent results from gamma-ray and neutron spectrometers on Mars Odyssey indicate the presence of a hydrogen-rich layer tens of centimeters thick in the uppermost meter in high latitudes (greater than 60) on Mars. This hydrogen-rich layer correlates to regions of ice stability. Thus, the subsurface hydrogen is thought to be water ice constituting 35 plus or minus 15% by weight near the north and south polar regions. We refine the location of subsurface ice deposits at a less than km scale by combining existing spectroscopy data with surface features indicative of subsurface ice. A positive correlation between spectroscopy data and geomorphic ice indicators has been previously suggested for high latitudes. Here we expand the comparative study to northern mid latitudes (30 degrees N- 65 degrees N).
Kanner, L. C.↗
Electronic Layer Decoupling Driven by Density-Wave Order in La 4 Ni 3 O 10
We probe the density-wave transition of the trilayer nickelate La 4 Ni 3 O 10 with polarization-resolved infrared spectroscopy. The low-energy electrodynamics is strongly anisotropic, with metallic in-plane and insulating out-of-plane character. In the ordered phase, the anisotropy grows more than an order of magnitude as the out-of-plane conductivity is sharply suppressed. We interpret this enhancement as an effective electronic decoupling of the Ni-O layers driven by a spin-density-wave-induced redistribution of Ni−𝑑 𝑧 2 occupation within the trilayers. This electronic response is accompanied by clearly shifting and splitting out-of-plane phonons, compatible with a density-wave instability of electronic origin.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Elucidating correlated defects in metal organic frameworks using theory-guided inelastic neutron scattering spectroscopy
Metal organic frameworks (MOFs) that incorporate metal oxide cluster nodes, exemplified by UiO-66, have been widely studied, especially in terms of their deviations from the ideal, defect-free crystalline structures. Although defects such as missing linkers, missing nodes, and the presence of adventitious synthesis-derived node ligands (such as acetates and formates) have been proposed, their exact structures remain unknown. Previously, it was demonstrated that defects are correlated and span multiple unit cells. The highly specialized techniques used in these studies are not easily applicable to other MOFs. Thus, there is a need to develop new experimental and computational approaches to understand the structure and properties of defects in a wider variety of MOFs. Here, we show how low-frequency phonon modes measured by inelastic neutron scattering (INS) spectroscopy can be combined with density functional theory (DFT) simulations to provide unprecedented insights into the defect structure of UiO-66. We are able to identify and assign peaks in the fingerprint region (<100 cm –1 ) which correspond to phonon modes only present in certain defective topologies. Specifically, this analysis suggests that our sample of UiO-66 consists of predominantly defect-free fcu regions with smaller domains corresponding to a defective bcu topology with 4 and 2 acetate ligands bound to the Zr 6 O 8 nodes. Importantly, the INS/DFT approach provides detailed structural insights (e.g., relative positions and numbers of acetate ligands) that are not accessible with microscopy-based techniques. Furthermore, the quantitative agreement between DFT simulations and the experimental INS spectrum combined with the relative simplicity of sample preparation, suggests that this methodology may become part of the standard and preferred protocol for the characterization of MOFs, and, in particular, for elucidating the structure defects in these materials.
36 MATERIALS SCIENCE↗
Electrolyte Solvation and Ionic Association. VII. Correlating Raman Spectroscopic Data with Solvate Species
Raman spectroscopy is a widely utilized method for determining information about the solvate species present in electrolyte solutions. Difficulties arise, however, when interpreting the Raman data in terms of correlating the spectroscopic vibrational bands with specific solvate species. Examples are provided to demonstrate how erroneous conclusions may be drawn with regard to the identity and population (distribution) of the solvent-separated ion pair (SSIP), contact ion pair (CIP) and aggregate (AGG) solvate species frequently mentioned in the scientific literature.
contact ion pairs↗