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At least 505 records · Page 28

Local lattice distortions and dynamics in extremely overdoped superconducting YSr 2 Cu 2.75 Mo 0.25 O 7.54

A common characteristic of many “overdoped” cuprates prepared with high-pressure oxygen is T c values ≥ 50 K that often exceed that of optimally doped parent compounds, despite O stoichiometries that place the materials at the edge or outside of the conventional boundary between superconducting and normal Fermi liquid states. X-ray absorption fine-structure (XAFS) measurements at 52 K on samples of high-pressure oxygen (HPO) YSr 2 Cu 2.75 Mo 0.25 O 7.54 , T c = 84 K show that the Mo is in the (VI) valence in an unusually undistorted octahedral geometry with predominantly Mo neighbors that is consistent with its assigned substitution for Cu in the chain sites of the structure. Perturbations of the Cu environments are minimal, although the Cu X-ray absorption near-edge structure (XANES) differs from that in other cuprates. The primary deviation from the crystal structure is therefore nanophase separation into Mo- and Cu-enriched domains. There are, however, indications that the dynamical attributes of the structure are altered relative to YBa 2 Cu 3 O 7 , including a shift of the Cu-apical O two-site distribution from the chain to the plane Cu sites. Another effect that would influence T c is the possibility of multiple bands at the Fermi surface caused by the presence of the second phase and the lowering of the Fermi level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An investigation of aqueous ammonium nitrate aerosols with soft X-ray spectroscopy

Aqueous aerosols are important in atmospheric chemistry, drug delivery, and human health. X-ray photoelectron spectroscopy (XPS), a surface-sensitive technique and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy which informs on the bulk, is deployed to study the solvation of ammonium nitrate (NH 4 NO 3 ). Aerosolised solutions of NH 4 NO 3 were introduced into a photoelectron spectrometer via an aerodynamic lens, and interrogated with soft X-ray photons, the resulting electrons were imaged via velocity map imaging. Density functional theory calculations were performed to compare with the measured binding energies of NH 4 + and NO 3 - solvated in water. The results reveal that the nitrate anion has a slight propensity for the surface, while both ammonium and nitrate ions are present in equal measure in the bulk.

74 ATOMIC AND MOLECULAR PHYSICS↗

Photon rings around warped black holes

Abstract The black hole photon ring is a prime target for upcoming space-based VLBI missions seeking to image the fine structure of astrophysical black holes. The classical Lyapunov exponents of the corresponding nearly bound null geodesics control the quasinormal ringing of a perturbed black hole as it settles back down to equilibrium, and they admit a holographic interpretation in terms of quantum Ruelle resonances of the microstate dual to the Kerr black hole. Recent work has identified a number of emergent symmetries related to the intricate self-similar structure of the photon ring. Here, we explore this web of interrelated phenomena in an exactly soluble example that arises as an approximation to the near-extremal Kerr black hole. The self-dual warped AdS 3 geometry has a photon ring as well as S L ( 2 , R ) isometries and an exactly calculable quasinormal mode (QNM) spectrum. We show explicitly that the geometric optics approximation reproduces the eikonal limit of the exact scalar QNM spectrum, as well as the approximate ‘near-ring’ wavefunctions. The S L ( 2 , R ) isometries are directly related to the emergent conformal symmetry of the photon ring in black hole images but are distinct from a recently discussed conformal symmetry of the eikonal QNM spectrum. The equivalence of the classical QNM spectrum—and thus the photon ring—to the quantum Ruelle resonances in the context of a spacetime with a putative holographic dual suggests that the photon ring of a warped black hole is indeed part of the black hole hologram.

79 ASTRONOMY AND ASTROPHYSICS↗

R-matrix calculations for opacities: I. Methodology and computations

Abstract An extended version of the R -matrix methodology is presented for calculation of radiative parameters for improved plasma opacities. Contrast and comparisons with existing methods primarily relying on the distorted wave approximation are discussed to verify accuracy and resolve outstanding issues, particularly with reference to the opacity project (OP). Among the improvements incorporated are: (i) large-scale Breit–Pauli R -matrix calculations for complex atomic systems including fine structure, (ii) convergent close coupling wave function expansions for the ( e + ion) system to compute oscillator strengths and photoionization cross sections, (iii) open and closed shell iron ions of interest in astrophysics and experiments, (iv) a treatment for plasma broadening of autoionizing resonances as function of energy-temperature-density dependent cross sections, (v) a ‘top-up’ procedure to compare convergence with R -matrix calculations for highly excited levels, and (vi) spectroscopic identification of resonances and bound ( e + ion) levels. The present R -matrix monochromatic opacity spectra are fundamentally different from OP and lead to enhanced Rosseland and Planck mean opacities. An outline of the work reported in other papers in this series and those in progress is presented. Based on the present re-examination of the OP work, opacities of heavy elements might require revisions in high temperature-density plasma sources.

Pradhan, A. K. (ORCID:0000000187753643)↗

Oxidation of Cu 2 O(111) by NO 2 : An Ambient Pressure X-ray Photoelectron Spectroscopy Study

With NO x persisting as a problematic pollutant, understanding the interactions and reactivity of NO x species at atmospherically relevant pressures with surfaces remains essential. Synchrotron-based ambient pressure x-ray photoelectron spectroscopy (APXPS) and near-edge x-ray absorption spectroscopy fine structure (NEXAFS) were used to investigate the interactions of NO2 with a Cu 2 O(111) surface. The NEXAFS data reveals a pressure dependence of the oxidation of the Cu 2 O surface to CuO by NO 2 . APXPS results show NO 2 chemi- and physisorption on the Cu 2 O surface and decomposition to NO and O, or to N and O, with the amount of the species also being pressure dependent. Finally, the combination of the two spectroscopic techniques shows a comprehensive picture of NO 2 adsorption with implications for catalysis, gas sensing, and gas filtration materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unusual dynamic susceptibility arising from soft ferromagnetic domains in MnBi 8 Te 13 and Sb-doped MnBi 2n Te 3n+1 (n = 2, 3)

MnBi$_{2n}$Te$_{3n+1}$ (MBT) is the first intrinsic magnetic topological insulator and is promising to host emergent phenomena such as quantum anomalous Hall effect. They can be made ferromagnetic by having n ≥ 4 or with Sb doping. In this work, we studied the magnetic dynamics in a few selected ferromagnetic (FM) MBT compounds, including MnBi 8 Te 13 and Sb doped MnBi$_{2n}$Te$_{3n+1}$ ($n = 2, 3)$ using AC susceptibility and magneto-optical imaging. Slow relaxation behavior is observed in all three compounds, suggesting its universality among FM MBT. We attribute the origin of the relaxation behavior to the irreversible domain movements since they only appear below the saturation fields when ferromagnetic domains form. The very soft ferromagnetic domain nature is revealed by the low-field fine-structured domains and high-field sea-urchin-shaped remanent-state domains imaged via our magneto-optical measurements. Finally, we ascribe the rare 'double-peak' behavior observed in the AC susceptibility under small DC bias fields to the very soft ferromagnetic domain formations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Past, present and future—sample environments for materials research studies in scattering and spectroscopy; a UK perspective

Small Angle X-Ray Scattering (SAXS) and X-Ray Absorption Fine Structure (XAFS) are two techniques that have been employed at synchrotron sources ever since their inception. Over the course of the development of the techniques, the introduction of sample environments for added value experiments has grown dramatically. This article reviews past successes, current developments and an exploration of future possibilities for these two X-ray techniques with an emphasis on the developments in the United Kingdom between 1980-2020.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Noise suppression for MHD characterization with electron cyclotron emission imaging 1D technique

Significant noise suppression for magnetohydrodynamics (MHD) mode characterization in the spatial and spectral domain is achieved by processing two-dimensional (2D) electron cyclotron emission imaging (ECEI) data with a one-dimensional (1D) ECEI technique using a short time window ($1\;{\text{ms}}$). The technique is applied to detect toroidal Alfven eigenmodes (TAEs) in the temporal spectrum and fit their radial envelope using the data from the DIII-D tokamak W-band 2D ECEI system. Using the data length (time window) of only 1 ${\text{ms}}$, the 1D ECEI can clearly detect the TAEs (~100 ${\text{kHz}}$) on the spectrum, while similar spectrum quality requires ~10 ${\text{ms}}$ data length with the cross power spectrum between two midplane ECEI channels. The 1D ECEI technique also effectively avoids biased fitting when resolving the fine structure of the TAE's radial envelope. The radially spatial resolution of 1D ECEI is constrained by the finite ECE radiation volume of the ECEI receiver. Here, with forward radiation modeling, we find the DIII-D ECEI system can sensitively measure the even parity MHD activities, for which the mode width is >15 mm, and tearing modes (odd parity MHD activities), for which the island full width is >30 mm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ta, Ti and Hf effects on Nb 3 Sn high-field performance: temperature-dependent dopant occupancy and failure of Kramer extrapolation

The increasing demand for improving the high-field (16-22 T) performance of Nb 3 Sn conductors requires a better understanding of the properties of modern wires much closer to irreversibility field, H Irr . In this study we investigated the impact of Ta, Ti and Hf doping on the high-field pinning properties, the upper critical field, H c2 , and H Irr . We found that the pinning force curves of commercial Ti and Ta doped wires at different temperatures do not scale and that the Kramer extrapolation, typically used by magnet designers to estimate high-field critical current density and magnet operational margins from lower field data, is not reliable and significantly overestimates the actual H Irr . In contrast, new laboratory scale conductors made with Nb-Ta-Hf alloy have improved high-field J c performance and, despite contributions by both grain boundary and point defect pinning mechanisms, have more predictable high-field behavior. Using Extended X-ray Absorption Fine Structure spectroscopy, EXAFS, we found that for the commercial Ta and Ti doped conductors, the Ta site occupancy in the A15 structure gradually changes with the heat treatment temperature whereas Ti is always located on the Nb site with clear consequences for H c2 . Finally, this work reveals the still limited understanding of what determines H c2 , H Irr and the high-field J c performance of Nb 3 Sn and the complexity of optimizing these conductors so that they can reach their full potential for high-field applications.

36 MATERIALS SCIENCE↗

Opening the reheating box in multifield inflation

The robustness of multi-field inflation to the physics of reheating is investigated. In order to carry out this study, reheating is described in detail by means of a formalism which tracks the evolution of scalar fields and perfect fluids in interaction (the inflatons and their decay products). This framework is then used to establish the general equations of motion of the background and perturbative quantities controlling the evolution of the system during reheating. Next, these equations are solved exactly by means of a new numerical code. Moreover, new analytical techniques, allowing us to interpret and approximate these solutions, are developed. As an illustration of a physical prediction that could be affected by the micro-physics of reheating, the amplitude of non-adiabatic perturbations in double inflation is considered. It is found that ignoring the fine-structure of reheating, as usually done in the standard approach, can lead to differences as big as ~ 50%, while our semi-analytic estimates can reduce this error to ~ 10%. Finally, we conclude that, in multi-field inflation, tracking the perturbations through the details of the reheating process is important and, to achieve good precision, requires the use of numerical calculations.

79 ASTRONOMY AND ASTROPHYSICS↗

The Atacama Cosmology Telescope: DR6 constraints on extended cosmological models

We use new cosmic microwave background (CMB) primary temperature and polarization anisotropy measurements from the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6) to test foundational assumptions of the standard cosmological model, ΛCDM, and set constraints on extensions to it. We derive constraints from the ACT DR6 power spectra alone, as well as in combination with legacy data from the Planck mission. To break geometric degeneracies, we include ACT and Planck CMB lensing data and baryon acoustic oscillation data from DESI Year-1. To test the dependence of our results on non-ACT data, we also explore combinations replacing Planck with WMAP and DESI with BOSS, and further add supernovae measurements from Pantheon+ for models that affect the late-time expansion history. We verify the near-scale-invariance (running of the spectral index dn s /d ln k = 0.0062 ± 0.0052) and adiabaticity of the primordial perturbations. Neutrino properties are consistent with Standard Model predictions: we find no evidence for new light, relativistic species that are free-streaming (N eff = 2.86 ± 0.13, which combined with astrophysical measurements of primordial helium and deuterium abundances becomes N eff = 2.89 ± 0.11), for non-zero neutrino masses (∑m ν < 0.089 eV at 95% CL), or for neutrino self-interactions. We also find no evidence for self-interacting dark radiation (N idr < 0.134), or for early-universe variation of fundamental constants, including the fine-structure constant (α EM /α EM,0 = 1.0043 ± 0.0017) and the electron mass (m e /m e,0 = 1.0063 ± 0.0056). Our data are consistent with standard big bang nucleosynthesis (we find Y p = 0.2312 ± 0.0092), the COBE/FIRAS-inferred CMB temperature (we find T CMB = 2.698 ± 0.016 K), a dark matter component that is collisionless and with only a small fraction allowed as axion-like particles, a cosmological constant (w = -0.986 ± 0.025), and the late-time growth rate predicted by general relativity (γ = 0.663 ± 0.052). We find no statistically significant preference for a departure from the baseline ΛCDM model. In fits to models invoking early dark energy, primordial magnetic fields, or an arbitrary modified recombination history, we find H 0 = 69.9 +0.8 -1.5 , 69.1 ± 0.5, or 69.6 ± 1.0 km/s/Mpc, respectively; using BOSS instead of DESI BAO data reduces the central values of these constraints by 1–1.5 km/s/Mpc while only slightly increasing the error bars. In general, models introduced to increase the Hubble constant or to decrease the amplitude of density fluctuations inferred from the primary CMB are not favored over ΛCDM by our data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A line-binned treatment of opacities for the spectra and light curves from neutron star mergers

ABSTRACT The electromagnetic observations of GW170817 were able to dramatically increase our understanding of neutron star mergers beyond what we learned from gravitational waves alone. These observations provided insight on all aspects of the merger from the nature of the gamma-ray burst to the characteristics of the ejected material. The ejecta of neutron star mergers are expected to produce such electromagnetic transients, called kilonovae or macronovae. Characteristics of the ejecta include large velocity gradients, relative to supernovae, and the presence of heavy r-process elements, which pose significant challenges to the accurate calculation of radiative opacities and radiation transport. For example, these opacities include a dense forest of bound–bound features arising from near-neutral lanthanide and actinide elements. Here we investigate the use of fine-structure, line-binned opacities that preserve the integral of the opacity over frequency. Advantages of this area-preserving approach over the traditional expansion–opacity formalism include the ability to pre-calculate opacity tables that are independent of the type of hydrodynamic expansion and thus eliminate the computational expense of calculating opacities within radiation-transport simulations. Tabular opacities are generated for all 14 lanthanides as well as a representative actinide element, uranium. We demonstrate that spectral simulations produced with the line-binned opacities agree well with results produced with the more accurate continuous Monte Carlo Sobolev approach, as well as with the commonly used expansion–opacity formalism. The agreement between the line-binned and expansion–opacity results is explained as arising from the similarity in their opacities in the limit of low optical depth, where radiation transport is important in the ejecta. Additional investigations illustrate the convergence of opacity with respect to the number of included lines, and elucidate sensitivities to different atomic physics approximations, such as fully and semirelativistic approaches.

79 ASTRONOMY AND ASTROPHYSICS↗

Constraining low redshift [C II ] emission by cross-correlating FIRAS and BOSS data

ABSTRACT We perform a tomographic cross-correlation analysis of archival FIRAS data and the BOSS galaxy redshift survey to constrain the amplitude of [C II] 2P3/2 → 2P1/2 fine structure emission. Our analysis employs spherical harmonic tomography (SHT), which is based on the angular cross-power spectrum between FIRAS maps and BOSS galaxy over-densities at each pair of redshift bins, over a redshift range of 0.24 < z < 0.69. We develop the SHT approach for intensity mapping, where it has several advantages over existing power spectral estimators. Our analysis constrains the product of the [C II] bias and [C II] specific intensity, $b_{\rm [C \small{\rm II}]}I_{\rm [C \small{\rm II}]}$, to be <0.31 MJy/sr at z ≈ 0.35 and <0.28 MJy/sr at z ≈ 0.57 at $95{{\ \rm per\ cent}}$ confidence. These limits are consistent with most current models of the [C II] signal, as well as with higher-redshift [C II] cross-power spectrum measurements from the Planck satellite and BOSS quasars. We also show that our analysis, if applied to data from a more sensitive instrument such as the proposed PIXIE satellite, can detect pessimistic [C II] models at high significance.

79 ASTRONOMY AND ASTROPHYSICS↗

Actinide opacities for modelling the spectra and light curves of kilonovae

ABSTRACT We extend previous ab initio calculations of lanthanide opacities to include a complete set of actinide opacities for use in the modelling of kilonova (KN) light curves and spectra. Detailed, fine-structure line features are generated using the configuration-interaction approach. These actinide opacities display similar trends to those observed for lanthanide opacities, such as the lighter actinides producing higher opacity than the heavier ones for relevant conditions in the dynamical ejecta. A line-binned treatment is employed to pre-compute opacity tables for 14 actinide elements (89 ≤ Z ≤ 102) over a grid of relevant temperatures and densities. These tabular opacities will be made publicly available for general usage in KN modelling. We demonstrate the usefulness of these opacities in KN simulations by exploring the sensitivity of light curves and spectra to different actinide abundance distributions that are predicted by different nuclear theories, as well as to different choices of ejecta mass and velocity. We find very little sensitivity to the two considered distributions, indicating that opacities for actinides with Z ≥ 99 do not contribute strongly. On the other hand, a single actinide element, protactinium, is found to produce faint spectral features in the far-infrared at late times (5–7 d post merger). More generally, we find that the choice of ejecta mass and velocity have the most significant effect on KN emission for this study.

79 ASTRONOMY AND ASTROPHYSICS↗

Overionized plasma in the supernova remnant Sagittarius A East anchored by XRISM observations

Sagittarius A East is a supernova remnant with a unique surrounding environment, as it is located in the immediate vicinity of the supermassive black hole at the Galactic center, Sagittarius A$^{*}$. The X-ray emission of the remnant is suspected to show features of overionized plasma, which would require peculiar evolutionary paths. We report on the first observation of Sagittarius A East with the X-Ray Imaging and Spectroscopy Mission (XRISM). Equipped with a combination of a high-resolution microcalorimeter spectrometer and a large field-of-view CCD imager, we for the first time resolved the Fe xxv K-shell lines into fine structure lines and measured the forbidden-to-resonance intensity ratio to be $1.39 \pm 0.12$, which strongly suggests the presence of overionized plasma. We obtained a reliable constraint on the ionization temperature just before the transition into the overionization state, of $\gt\! 4\:$keV. The recombination timescale was constrained to be $\lt\! 8 \times 10^{11} \:$cm$^{-3}\:$s. The small velocity dispersion of $109 \pm 6\:$km$\:$s$^{-1}$ indicates a low Fe ion temperature $\lt\! 8\:$keV and a small expansion velocity $\lt\! 200\:$km$\:$s$^{-1}$. The high initial ionization temperature and small recombination timescale suggest that either rapid cooling of the plasma via adiabatic expansion from dense circumstellar material or intense photoionization by Sagittarius A$^{*}$ in the past may have triggered the overionization.

galaxy center↗

Fast and accurate calculation of EXAFS Debye-Waller factors in U⁢O2 using the dynamical matrix method

Theoretical modeling of bonding dynamics in metal oxides is required for predicting their thermal conductivity, catalytic activity, and mechanical properties. A primary challenge is the scarcity of experimental methods for validating theoretical predictions of these atomic-scale dynamics. This work presents a workflow that uses experimental extended x-ray absorption fine structure (EXAFS) data collected at high temperatures to validate an interatomic force field for uranium dioxide (UO2), an important model material. The validated force field is then used to drive computationally intensive molecular dynamics (MD) simulations and as input for the much faster dynamical matrix Debye-Waller (DMDW) method. The predicted values of the Debye-Waller factors from the DMDW calculations are in good agreement with those obtained from the MD simulations, with residual pair-specific differences attributable to quantum zero-point motion at low temperatures and lattice anharmonicity at high temperatures. We further show that theoretical EXAFS spectra constructed directly from DMDW-derived Debye-Waller factors reproduce the experimental data (at relatively low temperatures) with accuracy comparable to full MD-EXAFS, providing an additional validation of the choice of the potential. This study establishes a validated, rapid computational pathway for modeling bond dynamics, naturally incorporating quantum nuclear\\\\r\\\\nstatistics absent in classical simulations, which are essential for the mechanistic understanding of complex oxide materials.

58 GEOSCIENCES↗

Comparison of spontaneous emission in trapped-ion multiqubit gates at high magnetic fields

Penning traps have been used for performing quantum simulations and sensing with hundreds of ions and provide a promising route toward scaling up trapped ion quantum platforms because of the ability to trap and control hundreds or thousands of ions in two- and three-dimensional crystals. In both Penning traps and the more common RF Paul traps, lasers are often used to drive multi-qubit entangling operations. A leading source of decoherence in these operations is off resonant spontaneous emission. While many trapped ion quantum computers or simulators utilize clock qubits, other systems, especially those with high magnetic fields such as Penning traps, rely on Zeeman qubits, which require a more complex calculation of this decoherence. We therefore examine theoretically the impacts of spontaneous emission on quantum gates performed with trapped-ion ground state Zeeman qubits in a high magnetic field. In particular, we consider two types of gates—light-shift ($\hat{σ}^z_i$ $\hat{σ}^z_j$) gates and Mølmer-Sørensen ($\hat{σ}^x_i$ $\hat{σ}^x_j$) gates—obtained with laser beams directed approximately perpendicular to the magnetic field (the quantization axis) and compare the decoherence errors in each. Within each gate type, we also compare different operating points with regards to the detunings, polarizations, and required intensity of the laser beams used to drive the gates. Here, we show that both gates can have similar performance at their optimal operating conditions at high magnetic fields and examine the experimental feasibility of various operating points. By examining the magnetic field dependence of each gate, we demonstrate that, when the P state fine structure splitting is large compared to the Zeeman splittings, the theoretical performance of the Mølmer-Sørensen gate is significantly better than that of the light-shift gate. Additionally, for the light-shift gate, we make an approximate comparison between the fidelities that can be achieved at high fields with the fidelities of state-of-the-art two-qubit trapped ion quantum gates. We show that, with regards to spontaneous emission, the achievable fidelity of the current NIST configuration is about an order of magnitude below that of the best low-field gates, but we also discuss several alternative configurations with potential error rates that are comparable with those for state-of-the art trapped ion gates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mitigation of birefringence in cavity-based quantum networks using frequency-encoded photons

Atom-cavity systems offer unique advantages for building large-scale distributed quantum computers by providing strong atom-photon coupling while allowing for high-fidelity local operations of atomic qubits. However, in prevalent schemes where the photonic state is encoded in polarization, cavity birefringence introduces an energy splitting of the cavity eigenmodes and alters the polarization states, thus limiting the fidelity of remote entanglement generation. To address this challenge, we propose a scheme that encodes the photonic qubit in the frequency degree-of-freedom. The scheme relies on resonant coupling of multiple transverse cavity modes to different atomic transitions that are well-separated in frequency. We numerically investigate the temporal properties of the photonic wavepacket, two-photon interference visibility, and atom-atom entanglement fidelity under various cavity polarization-mode splittings and find that our scheme is less affected by cavity birefringence. Finally, we propose practical implementations in two trapped ion systems, using the fine structure splitting in the metastable D state of 40 Ca + , and the hyperfine splitting in the ground state of 225 Ra + . Furthermore, our study presents an alternative approach for cavity-based quantum networks that is less sensitive to birefringent effects, and is applicable to a variety of atomic and solid-state emitter-cavity interfaces.

Cavity quantum electrodynamics↗