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At least 1,513 records · Page 84

Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers

The degree of electronic coupling between individual layers in van der Waals heterostructures offers a route to engineer their magnetic, electronic, and optical functionalities. Using state-of-the-art first-principles calculations, in this work, we demonstrate that the electronic coupling between two monolayers of CrSBr─an anisotropic two-dimensional magnetic semiconductor─is highly nonlinear and nonmonotonic with respect to their relative twist angle, exhibiting a pronounced maximum at the twin-stacking configuration. The coupling strength scales with both the degree of overlap of Br orbitals adjacent to the van der Waals gap and the cosine of half of the interlayer spin angle. This enhanced interlayer electronic coupling leads to excitons delocalized across the two layers, with a polarization dependence that reflects the interlayer spin alignment. Our results reveal a sensitive interplay among twist angle, magnetism, and excitonic properties in twin-stacked CrSBr bilayers, suggesting twin stacking as an effective means for engineering interlayer coupling.

2D materials↗

Thermal deflection in neutron scattering sample environments at Oak Ridge National Laboratory

The neutron sources at Oak Ridge National Laboratory use a wide suite of sample environment equipment to deliver extreme conditions for a number of experiments. Much of this instrumentation focuses on extremes of temperature, such as cryostats, closed-cycle refrigerators in both low and high temperature configurations, and radiant heating furnaces. When the temperature is controlled across a large range, thermal deflection effects can notably move the sample and affect its alignment in the beam. Here, we combine these sample environments with neutron imaging and machine vision to determine the motion of a representative sample with respect to the neutron beam. We find vertical sample displacement on the order of 1–2 mm and horizontal displacement that varies from near-negligible to 1.2 mm. While these deflections are not relevant for some of the beamlines at the first target station at the spallation neutron source and the high flux isotope reactor, they will become critical for upcoming instrumentation at the second target station, as well as any instruments targeting sub-mm samples, as neutron sources and optics evolve to smaller and more focused beams. We discuss mitigation protocols and potential modifications to the environment to minimize the effect of misalignment due to thermal deflection.

47 OTHER INSTRUMENTATION↗

Phase Retrieval for Radio Telescope and Antenna Control

Phase-retrieval is a general term used in optics to describe the estimation of optical imperfections or "aberrations." The purpose of this innovation is to develop the application of phase retrieval to radio telescope and antenna control in the millimeter wave band. Earlier techniques do not approximate the incoherent subtraction process as a coherent propagation. This approximation reduces the noise in the data and allows a straightforward application of conventional phase retrieval techniques for radio telescope and antenna control. The application of iterative-transform phase retrieval to radio telescope and antenna control is made by approximating the incoherent subtraction process as a coherent propagation. Thus, for systems utilizing both positive and negative polarity feeds, this approximation allows both surface and alignment errors to be assessed without the use of additional hardware or laser metrology. Knowledge of the antenna surface profile allows errors to be corrected at a given surface temperature and observing angle. In addition to imperfections of the antenna surface figure, the misalignment of multiple antennas operating in unison can reduce or degrade the signal-to-noise ratio of the received or broadcast signals. This technique also has application to the alignment of antenna array configurations.

Dean, Bruce↗

Revealing the Magnetic Field Geometry of Gamma-Ray Binary PSR B1259-63 Via X-Ray Polarimetry

PSR B1259-63 (PSR 1259) is a radio pulsar with a spin period of ~48 ms, in a binary system with a massive, emission-line star of spectral type O9.5Ve (Figs 1 and 2). The star, LS 2883, is commonly referred to as a Be-type star, with optical spectra revealing a dense equatorial outflow and isotropic wind that forms an equatorial disk, purportedly inclined with respect to the orbital plane. The pulsar is in a highly eccentric orbit (e~0.87, P~3.38 years), around LS 2883, plunging through this circumstellar twice at about 16 days and 13 days before and after periastron, respectively. This interaction of the pulsar wind wind with the stellar outflow, produces TeV gamma rays as a result of highly energetic particles being efficiently accelerated, producing synchrotron radiation in the X-ray and soft gamma-ray bands, in a time-varying shock. X-ray polarization to be aligned perpendicular to the magnetic field for synchrotron radiation.

Oliver J Roberts↗

Designing molecular qubits: computational insights into first-row and group 6 transition metal complexes

In the realm of optically addressable qubits, a previously synthesized and characterized Cr( IV ) pseudo-tetrahedral complex, featuring four strongly donating ligands surrounding the chromium center, has demonstrated potential as a qubit candidate. This study proposes analogs of this complex through a metal substitution strategy, extending the investigation to different complexes based on metal centers selected from first-row and Group 6 transition metals. Computational modeling based on multiconfigurational methods CASPT2 and MC-PDFT was utilized to calculate energy gaps between ground and excited electronic spin states, and zero-field splitting parameters. Simulations were applied to each equilibrium geometry and related deformations based on vibrational modes. All results align with previous experimental findings, but also show that qubits based on V and Ti centers could be more electronically stable than the Cr one, suggesting a lower electronic features dependency from their related geometry. In some cases geometrical deformations provide changes in relative energy gaps between triplet and singlet excited state, that could potentially swap, offering a different initialization process, and some inspiration for ligand design based on such deformations. Additionally, this study identifies an unsynthesized Ti( II ) compound as a promising candidate for molecular qubits. This finding highlights the role of computational multireference methods in the rational design of qubit systems.

Sauza-de la Vega, Arturo [Univ. of Chicago, IL (Un↗

The large-area hybrid-optics CLAS12 RICH: First years of data-taking

The CLAS12 deep-inelastic scattering experiment at the upgraded 12 GeV continuous electron beam accelerator facility of Jefferson Lab conjugates luminosity and wide acceptance to study the 3D nucleon structure in the yet poorly explored valence region, and to perform precision measurements in hadron spectroscopy. A large area ring-imaging Cherenkov detector has been designed to achieve the required hadron identification in the momentum range from 3 GeV/c to 8 GeV/c, with the kaon rate about one order of magnitude lower than the rate of pions and protons. The adopted solution comprises aerogel radiator and composite mirrors in a novel hybrid optics design, where either direct or reflected light could be imaged in a high-packed and high-segmented photon detector. The first RICH module was assembled during the second half of 2017 and installed at the beginning of January 2018, in time for the start of the experiment. The second RICH module, planned with the goal to be ready for the beginning of the operation with polarized targets, has been timely built despite the complications caused by the pandemic crisis and successfully installed in June 2022. Finally, the detector performance is here discussed with emphasis on the operation and stability during the data-taking, calibration and alignment procedures, reconstruction and pattern recognition algorithms, and particle identification.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quarkonium polarization in medium from open quantum systems and chromomagnetic correlators

Here, by considering the Markovian condition and applying the Wigner transformation upon the diagonal spin components of the quarkonium density matrix with the semiclassical expansion, we systematically derive the Boltzmann transport equation for quarkonia with polarization dependence in the quantum optical limit. Unlike the spin-independent collision terms governed by certain chromoelectric field correlators, new gauge invariant correlators of chromomagnetic fields determine the recombination and dissociation terms with polarization dependence at the order we are working. We also derive a Lindblad equation describing the in-medium transitions between spin-singlet and spin-triplet heavy quark-antiquark pairs in the quantum Brownian motion limit. The Lindblad equation is governed by new transport coefficients defined in terms of the chromomagnetic field correlators. Our formalism is generic and valid for both weakly coupled and strongly coupled quark gluon plasmas. It can be further applied to study spin alignment of vector quarkonia in heavy ion collisions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Arrayed Micro-Ring Spectrometer System and Method of Use

A spectrometer system includes an array of micro-zone plates (MZP) each having coaxially-aligned ring gratings, a sample plate for supporting and illuminating a sample, and an array of photon detectors for measuring a spectral characteristic of the predetermined wavelength. The sample plate emits an evanescent wave in response to incident light, which excites molecules of the sample to thereby cause an emission of secondary photons. A method of detecting the intensity of a selected wavelength of incident light includes directing the incident light onto an array of MZP, diffracting a selected wavelength of the incident light onto a target focal point using the array of MZP, and detecting the intensity of the selected portion using an array of photon detectors. An electro-optic layer positioned adjacent to the array of MZP may be excited via an applied voltage to select the wavelength of the incident light.

Choi, Sang H.↗

SIM-Lite Mission Spectral Calibration Sensitivities and Refinements

SIM-Lite missions will perform astrometry at microarcsecond accuracy using star light interferometry. For typical baselines that are shorter than 10 meters, this requires to measure optical path difference (OPD) accurate to tens of picometers calling for highly accurate calibration. A major challenge is to calibrate the star spectral dependency in fringe measurements -- the spectral calibration. Previously, we have developed a spectral calibration and estimation scheme achieving picometer level accuracy. In this paper, we present the improvements regarding the application of this scheme from sensitivity studies. Data from the SIM Spectral Calibration Development Unit (SCDU) test facility shows that the fringe OPD is very sensitive to pointings of both beams from the two arms of the interferometer. This sensitivity coupled with a systematic pointing error provides a mechanism to explain the bias changes in 2007. Improving system alignment can effectively reduce this sensitivity and thus errors due to pointing errors. Modeling this sensitivity can lead to further improvement in data processing. We then investigate the sensitivity to a model parameter, the bandwidth used in the fringe model, which presents an interesting trade between systematic and random errors. Finally we show the mitigation of calibration errors due to system drifts by interpolating instrument calibrations. These improvements enable us to use SCDU data to demonstrate that SIM-Lite missions can meet the 1pm noise floor requirement for detecting earth-like exoplanets.

wave front aberration↗

Examining Cloud Feedback Components in the Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM)

Cloud feedback remains the main source of uncertainty in climate sensitivity estimated by global climate models (GCMs), largely because subgrid cloud responses are parameterized in GCMs due to their coarse resolution. Here, this study examines cloud feedback in the global 3.25-km Simple Cloud-Resolving Energy Exascale Earth System Model (E3SM) Atmosphere Model (SCREAM 3 km) through a pair of 1-yr atmosphere-only simulations with control and +4-K sea surface temperature perturbations. SCREAM 3 km produces a positive cloud feedback that falls within but at the upper end of the range of Coupled Model Intercomparison Project phase 5 (CMIP5) and CMIP phase 6 (CMIP6) models and expert judgment. The positive cloud feedback arises from positive contributions from both high- and low-level clouds, with increases in high-cloud altitude and decreases in low-cloud amount and optical depth playing key roles. The stronger-than-CMIP-average feedback is mainly attributable to the high-cloud altitude feedback, owing to cloud tops rising nearly isothermally in SCREAM 3 km. The positive low-cloud amount feedback is weaker in SCREAM than in GCMs because estimated inversion strength (EIS) increases more dramatically with warming. A coarser 12-km resolution version of SCREAM exhibits a weaker positive cloud feedback than SCREAM 3 km, mainly because its low-cloud-radiative flux is more sensitive to EIS, leading to a stronger negative low-cloud amount feedback. With this process-level assessment of cloud feedback, this study reveals where SCREAM aligns with and diverges from conventional GCMs and expert assessment, providing insights to inform further model improvement and future expert assessment.

Cloud radiative effects↗

Effects of Geometric Azimuthal Asymmetries of the PPM Stack on Electron Beam Characteristics

The effects of geometric azimuthally asymmetric properties of a periodic permanent magnet (PPM) focusing stack on electron beam characteristics obtained using a fully three dimensional (3D) particle-in-cell (PIC) code will be presented. The simulation model, using MAFIA (Solution of MAxwell's equations by the Finite-Integration-Algorithm), incorporates 3D behavior of the beam immersed in static fields calculated directly from the exact geometry and material properties of the 3D magnetic focusing structure. The Hughes 8916H, 18-40 GHz helical TWT for the millimeter-wave power module (MMPM) was used as a prototype. Firstly, the effects of C-magnets used at the input and output of the TWT to allow for coupling of the RF signal into and out of the tube are considered. The 8916H input and output C-magnets differ because coaxial couplers are used at the input and waveguide couplers are used at the output The repositioning of the beam from its central axis due to the inclusion of the output C-magnet was found to be most significant. The modeled output C-magnet and its orientation in the Cartesian coordinate system is shown, and a two-dimensional beam profile including the output C-magnet is also shown. A table presents the shift of the beam center off the central axis relative to the average radius of the beam at the longitudinal points A, B and C designated on an enclosed figure. Secondly, the addition of shunts, or rectangular iron pieces applied manually by a skilled technician in order to improve beam transmission, is considered. The shunts are applied to the top of the tube; thus, azimuthal symmetry of the focusing stack is interrupted. Although shunts are typically added during RF focusing, they are also typically added at the input section of the tube where RF forces are minimal, making an electron optics analysis meaningful. Because several shunts are usually applied to one pole piece, the simulations have been simplified by modeling a half washer with the same radius and longitudinal length as a shunt over the entire x, positive-y half of the transverse plane. A modeled pole piece and shunt as described are shown. Lastly, in order to study the effects of magnet misalignments, a magnet in the PPM stack was arbitrarily chosen and adjusted so that its central axis was shifted both 0.7 percent and 1.0 percent of the magnet outer diameter in the positive-y direction. In practice, positioning the magnets so that their central axis is accurately aligned with the central axis of the tube is challenging. Thus, it is a strong possibility that one or more magnets will be misaligned relative to the tube central axis.

Kory, Carol L.↗

Broadband Achromatic Telecentric Lens

A new type of lens design features broadband achromatic performance as well as telecentricity, using a minimum number of spherical elements. With appropriate modifications, the lens design form can be tailored to cover the range of response of the focal-plane array, from Si (400-1,000 nm) to InGaAs (400-1,700 or 2,100 nm) or InSb/HgCdTe reaching to 2,500 nm. For reference, lenses typically are achromatized over the visible wavelength range of 480-650 nm. In remote sensing applications, there is a need for broadband achromatic telescopes, normally satisfied with mirror-based systems. However, mirror systems are not always feasible due to size or geometry restrictions. They also require expensive aspheric surfaces. Non-obscured mirror systems can be difficult to align and have a limited (essentially one-dimensional) field of view. Centrally obscured types have a two-dimensional but very limited field in addition to the obscuration. Telecentricity is a highly desirable property for matching typical spectrometer types, as well as for reducing the variation of the angle of incidence and cross-talk on the detector for simple camera types. This rotationally symmetric telescope with no obscuration and using spherical surfaces and selected glass types fills a need in the range of short focal lengths. It can be used as a compact front unit for a matched spectrometer, as an ultra-broadband camera objective lens, or as the optics of an integrated camera/spectrometer in which the wavelength information is obtained by the use of strip or linear variable filters on the focal plane array. This kind of camera and spectrometer system can find applications in remote sensing, as well as in-situ applications for geological mapping and characterization of minerals, ecological studies, and target detection and identification through spectral signatures. Commercially, the lens can be used in quality-control applications via spectral analysis. The lens design is based on the rear landscape lens with the aperture stop in front of all elements. This allows sufficient room for telecentricity in addition to making the stop easily accessible. The crucial design features are the use of a doublet with an ultra-low dispersion glass (fluorite or S-FPL53), and the use of a strong negative element, which enables flat field and telecentricity in conjunction with the last (field lens) element. The field lens also can be designed to be in contact with the array, a feature that is desirable in some applications. The lens has a 20deg field of view, for a 50-mm focal length, and is corrected over the range of wavelengths of 450-2,300 nm. Transverse color, which is the most pernicious aberration for spectroscopic work, is controlled at the level of 1 m or below at 0.7 m field and 5 m at full field. The maximum chief ray angle is less than 1.7 , providing good telecentricity. An additional feature of this lens is that it is made exclusively with glasses that provide good transmission up to 2,300 nm and even some transmission to 2,500 nm; thus, the lens can be used in applications that cover the entire solar-reflected spectrum. Alternative realizations are possible that provide enhanced resolution and even less transverse color over a narrower wavelength range.

Mouroulis, Pantazis↗

Phonon-induced collective modes in spin-orbit coupled polar metals

We study the interplay between collective electronic and lattice modes in polar metals in an applied magnetic field aligned with the polar axis. Static spin-orbit coupling leads to the appearance of a particle-hole spin-flip continuum that is gapped at low energies in a finite field. We find that a weak spin-orbit assisted coupling between electrons and polar phonons induces the emergence of electronic collective modes. The strength of the applied magnetic field tunes the number of modes and their energies, which can lie both above and below the particle-hole continuum. For a range of field values, we identify Fano-type interference between the electronic continuum and phonons. Here, we show that signatures of these collective modes can be observed in optical spectroscopy experiments, and we provide the corresponding theoretical predictions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

What more can be done with XPS? Highly informative but underused approaches to XPS data collection and analysis

Because of the importance of surfaces and interfaces in many scientific and technological areas, the use of x-ray photoelectron spectroscopy (XPS) has been growing exponentially. Although XPS is being used to obtain useful information about the surface composition of samples, much more information about materials and their properties can be extracted from XPS data than commonly obtained. This paper describes some of the areas where alternative analysis methods or experimental design can obtain information about the near-surface region of a sample, often information not available in other ways. Experienced XPS analysts are familiar with many of these methods, but they may not be known to new or casual XPS users, and sometimes, they have not been used because of an inappropriately assumed complexity. The information available includes optical, electronic, and electrical properties; nanostructure; expanded chemical information; and enhanced analysis of biological materials and solid/liquid interfaces. Many of these analyses can be conducted on standard laboratory XPS systems, with either no or relatively minor system alterations. Topics discussed include (1) considerations beyond the “traditional” uniform surface layer composition calculation, (2) using the Auger parameter to determine a sample property, (3) use of the D parameter to identify sp 2 and sp 3 carbon information, (4) information from the XPS valence band, (5) using cryocooling to expand range of samples that can be analyzed and minimize damage, and (6) using electrical potential effects on XPS signals to extract chemically resolved electrical measurements including band alignment and electrical property information.

Baer, Donald R. [Pacific Northwest National Labora↗

High-fidelity Imaging of the Inner AU Mic Debris Disk: Evidence of Differential Wind Sculpting?

We present new high-fidelity optical coronagraphic imagery of the inner ∼50 au of AU Mic's edge-on debris disk using the BAR5 occulter of the Hubble Space Telescope Imaging Spectrograph (HST/STIS) obtained on 2018 July 26–27. This new imagery reveals that "feature A," residing at a projected stellocentric separation of 14.2 au on the southeast side of the disk, exhibits an apparent "loop-like" morphology at the time of our observations. The loop has a projected width of 1.5 au and rises 2.3 au above the disk midplane. We also explored Transiting Exoplanet Survey Satellite photometric observations of AU Mic that are consistent with evidence of two starspot complexes in the system. The likely co-alignment of the stellar and disk rotational axes breaks degeneracies in detailed spot modeling, indicating that AU Mic's projected magnetic field axis is offset from its rotational axis. We speculate that small grains in AU Mic's disk could be sculpted by a time-dependent wind that is influenced by this offset magnetic field axis, analogous to co-rotating solar interaction regions that sculpt and influence the inner and outer regions of our own Heliosphere. Alternatively, if the observed spot modulation is indicative of a significant misalignment of the stellar and disk rotational axes, we suggest that the disk could still be sculpted by the differential equatorial versus polar wind that it sees with every stellar rotation.

John P. Wisniewski↗

Nanoscale Ferroelectric Control of Novel Electronic States in Layered Two-Dimensional Materials (Final Report)

In this DOE Early Career project “Nanoscale Ferroelectric Control of Novel Electronic States in Layered Two-Dimensional Materials,” the PI’s group has combined ferroelectric field effect with nanoscale domain imaging and writing to design the electronic and optical properties of two-dimensional (2D) van der Waals materials, including graphene and transition metal dichalcogenides MoS2 and ReS2. The van der Waals materials have been prepared into field effect transistor (FET) devices with ferroelectric gates. Through domain patterning in a ferroelectric polymer PVDF-TrEF top-gate via conductive atomic force microscopy, the team has created programmable Schottky junctions in monolayer MoS 2 , where both barrier height and I-V rectifying polarity can be reconfigured. The transport anisotropy of monolayer to few-layer ReS 2 has been mapped out by defining the entire channel into an insulating state and creating nanoscale conducting paths along different directions through domain writing in the ferroelectric top-gate. The result shows that the conductivity along and perpendicular to the Re-chain can differ by >5.5x10 4 . Theoretical modeling points to the band origin of the transport anomaly and reveals the emergence of a flat band in few-layer ReS 2 . The interfacial epitaxial relation between ReS 2 and PVDF-TrFE further promotes the formation of close-packed, highly ordered PVDF-TrFE nanowires with width of 35 nm and 10 nm. Nonvolatile modulation of quantum Hall effect has been achieved in graphene FETs with a ferroelectric oxide Ba 0.4 Sr 0.6 TiO 3 back-gate. Scattering from the remote surface optical phonon in Ba 0.4 Sr 0.6 TiO 3 limits the room temperature mobility of graphene to be about 3x10 4 cm 2 /Vs. Steep-slope switching has been achieved in MoS 2 FETs back-gated by polycrystalline Pb(Zr,Ti)O 3 , which signals a static-state negative capacitance mode without involving an additional dielectric layer. Piezoresponse force microscopy studies show that the sub-threshold swing can be well correlated with the domain wall density in Pb(Zr,Ti)O 3 . The team also observes an unconventional filtering effect of the second harmonic generation response at the MoS 2 /Pb(Zr,Ti)O 3 heterointerface, which can be accounted for by the alignment between one of the polar axes of MoS 2 and the chiral dipole rotation at the surface of domain wall in Pb(Zr,Ti)O 3 . The research supported by this DOE grant has significantly advanced the fundamental understanding and functional design of ferroelectric/2D van der Waals heterostructures for their implementation towards energy applications.

36 MATERIALS SCIENCE↗

A Comprehensive Forward Model for Spaceborne Radar Instruments

We present the development and validation of a comprehensive forward model designed to enhance remote sensing capabilities of spaceborne radar instruments. To overcome limitations in existing models, we integrated a Discrete Dipole Approximation (DDA) cloud scattering database into our Radiative Transfer Model (RTM), focusing on microwave frequencies. By simulating the optical properties of non-spherical frozen hydrometeors, the DDA technique effectively reduced discrepancies between simulated and observed values, surpassing traditional Mie tables. The evaluation of DDA lookup tables involved comparisons with a collocated dataset comprising short-term forecasts and satellite microwave data, providing evidence of their superiority. Additionally, we address the challenges of assimilating active radar measurements, which offer vertically resolved insights into clouds and precipitation. We explored the assimilation of spaceborne radar measurements in Numerical Weather Prediction (NWP) models by integrating a forward radar model, along with its adjoint and tangent linear, into the data assimilation system. Evaluation using CloudSat measurements demonstrated promising agreement between simulations and observations, particularly when the input hydrometeor profiles aligned with the measured reflectivity profiles, showcasing the potential of the developed forward radar model. Moreover, we discuss other challenges in radar measurement assimilation within NWP models, including potential observation errors and biases.

Isaac Moradi↗

The Missing Satellite Problem outside of the Local Group. II. Statistical Properties of Satellites of Milky Way–like Galaxies

We present a new observation of satellite galaxies around seven Milky Way (MW)–like galaxies located outside of the Local Group (LG) using Subaru/Hyper Suprime-Cam imaging data to statistically address the missing satellite problem. We select satellite galaxy candidates using magnitude, surface brightness, Sérsic index, axial ratio, FWHM, and surface brightness fluctuation cuts, followed by visual screening of false positives such as optical ghosts of bright stars. We identify 51 secure dwarf satellite galaxies within the virial radius of nine host galaxies, two of which are drawn from the pilot observation presented in Paper I. We find that the average luminosity function of the satellite galaxies is consistent with that of the MW satellites, although the luminosity function of each host galaxy varies significantly. We observe an indication that more massive hosts tend to have a larger number of satellites. Physical properties of the satellites such as the size–luminosity relation are also consistent with the MW satellites. However, the spatial distribution is different; we find that the satellite galaxies outside of the LG show no sign of concentration or alignment, while that of the MW satellites is more concentrated around the host and exhibits a significant alignment. As we focus on relatively massive satellites with M V < –10, we do not expect that the observational incompleteness can be responsible here. This trend might represent a peculiarity of the MW satellites, and further work is needed to understand its origin.

79 ASTRONOMY AND ASTROPHYSICS↗