Magnetoelastic coupling in URu2Si2: proving multipolar correlations
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High Magnetic Field Science↗
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Integrated 64-Channel Spatiotemporally Patterned Multipolar Neural Stimulator with 150nA–10mA Current Range at 8V–20V Voltage Compliance
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Biological and medical sciences↗
Nuclear Data Sheets for A=218
The evaluated data are presented for 11 known A=218 nulcides (Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa and U). For {sup 218}Pb, {sup 218}Bi, {sup 218}At and {sup 218}Pa, data are available only for the ground states. For {sup 218}U, only the g.s. and a high-spin isomer are known, with no data on γ-ray transitions available. For {sup 218}Po, ten excited states are known from {sup 218}Bi decay, with no knowledge on the multipolarities of gamma-ray transitions. For {sup 218}Th, five excited states in the g.s. band are known from an in-beam γ-ray study. Data on level half-lives, multipolarities and mixing ratios of gamma transitions is generally lacking for A=218 nuclei. The static magnetic dipole moment has been measured for only an isomer in {sup 218}Fr. With the exception of a new nuclide, {sup 218}Pb, and measurements of half-lives of ground states of a few nuclides of A=218 and A=222, no substantial structure information has become available since the previous evaluation in 2006. Q values are adopted from 2017Wa10 (AME-2016). The present evaluation supersedes the previous A=218 ENSDF evaluations, 2006Ja03, 1995El08, 1987El12 and 1977To13. This evaluation was carried out as part of a joint IAEA-ICTP workshop for Nuclear Structure and Decay Data, organized and hosted by the IAEA, Vienna, and ICTP, Trieste, October 15–26, 2018.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Theory of electric, magnetic, and toroidal polarizations in crystalline solids with applications to hexagonal lonsdaleite and cubic diamond
Multipolar order in bulk crystalline solids is characterized by multipole densities-denoted as polarizations in this work-that cannot be cleanly defined using the concepts of classical electromagnetism. Here we use group theory to overcome this difficulty and present a systematic study of electric, magnetic, and toroidal multipolar order in crystalline solids. Based on our symmetry analysis, we identify five categories of polarized matter, each of which is characterized by distinct features in the electronic band structure. For example, Rashba spin splitting in electropolar bulk materials like wurtzite represents the electric dipolarization in these materials. We also develop a general formalism of indicators for individual multipole densities that provide a physical interpretation and quantification of multipolar order. Our work clarifies the relation between patterns of localized multipoles and macroscopic multipole densities they give rise to. To illustrate the general theory, we discuss its application to polarized variants of hexagonal lonsdaleite and cubic diamond structures. In conclusion, our work provides a general framework for classifying and expanding current understanding of multipolar order in complex materials.
36 MATERIALS SCIENCE↗
Beyond the electric-dipole approximation in simulations of x-ray absorption spectroscopy: Lessons from relativistic theory
Herein we present three schemes to go beyond the electric-dipole approximation in x-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is based on the full semi-classical light–matter interaction operator and the two others on a truncated interaction within the Coulomb gauge (velocity representation) and multipolar gauge (length representation). We generalize the derivation of the multipolar gauge to an arbitrary expansion point and show that the potentials corresponding to different expansion points are related by a gauge transformation, provided that the expansion is not truncated. This suggests that the observed gauge-origin dependence in the multipolar gauge is more than just a finite-basis set effect. The simplicity of the relativistic formalism enables arbitrary-order implementations of the truncated interactions, with and without rotational averaging, allowing us to test their convergence behavior numerically by comparison to the full formulation. We confirm the observation that the oscillator strength of the electric-dipole allowed ligand K -edge transition of TiCl 4 , when calculated to the second order in the wave vector, becomes negative but also show that inclusion of higher-order contributions allows convergence to the result obtained using the full light–matter interaction. However, at higher energies, the slow convergence of such expansions becomes dramatic and renders such approaches at best impractical. When going beyond the electric-dipole approximation, we therefore recommend the use of the full light–matter interaction.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Spontaneous breaking of multipole symmetries
Multipole symmetries are of interest both as a window on fracton physics and as a crucial ingredient in realizing new universality classes for quantum dynamics. Here we address the question of whether and when multipole symmetries can be spontaneously broken, both in thermal equilibrium and at zero temperature. In this work, we derive generalized Mermin-Wagner arguments for the total or partial breaking of multipolar symmetry groups and generalized Imry-Ma arguments for the robustness of such multipolar symmetry breaking to disorder. We present both general results and explicit examples. Our results should be directly applicable to quantum dynamics with multipolar symmetries and also provide a useful stepping stone to understanding the robustness of fracton phases to thermal fluctuations, quantum fluctuations, and disorder.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Microscopic origin of reflection-asymmetric nuclear shapes
The presence of nuclear ground states with stable reflection-asymmetric shapes is supported by rich experimental evidence. Theoretical surveys of odd-multipolarity deformations predict the existence of pear-shaped isotopes in several fairly localized regions of the nuclear landscape in the vicinity of near-lying single-particle shells with Δℓ = Δj = 3. We analyze the role of isoscalar, isovector, neutron-proton, neutron-neutron, and proton-proton multipole interaction energies in inducing the onset of reflection-asymmetric ground-state deformations. The calculations are performed in the framework of axial reflection-asymmetric Hartree-Fock-Bogoliubov theory using two Skyrme energy-density functionals and density-dependent pairing force. We show that reflection-asymmetric ground-state shapes of atomic nuclei are driven by the odd-multipolarity neutron-proton (or isoscalar) part of the nuclear interaction energy. This result is consistent with the particle-vibration picture, in which the main driver of octupole instability is the isoscalar octupole-octupole interaction giving rise to large E3 polarizability. The necessary condition for the appearance of localized regions of pear-shaped nuclei in the nuclear landscape is the presence of parity doublets involving Δℓ = Δj = 3 proton or neutron single-particle shells. This condition alone is, however, not sufficient to determine whether pear shapes actually appear, and, if so, what the corresponding reflection-asymmetric deformation energies are. The predicted small reflection-asymmetric deformation energies result from dramatic cancellations between even- and odd-multipolarity components of the nuclear binding energy.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Multipole groups and fracton phenomena on arbitrary crystalline lattices
Multipole symmetries are of interest in multiple contexts, from the study of fracton phases, to nonergodic quantum dynamics, to the exploration of new hydrodynamic universality classes. However, prior explorations have focused on continuum systems or hypercubic lattices. In this work, we systematically explore multipole symmetries on arbitrary crystal lattices. We explain how, given a crystal structure (specified by a space group and the occupied Wyckoff positions), one may systematically construct all consistent multipole groups. We focus on two-dimensional crystal structures for simplicity, although our methods are general and extend straightforwardly to three dimensions. We classify the possible multipole groups on all two-dimensional Bravais lattices, and on the Kagome and breathing Kagome crystal structures to illustrate the procedure on general crystal lattices. Using Wyckoff positions, we provide an in-principle classification of all possible multipole groups in any space group. We explain how, given a valid multipole group, one may construct a consistent lattice Hamiltonian and a low-energy field theory. We then explore the physical consequences, beginning by generalizing certain results originally obtained on hypercubic lattices to arbitrary crystal structures. Next, we identify two apparently novel phenomena: an emergent, robust subsystem symmetry on the triangular lattice, and an exact multipolar symmetry on the breathing Kagome lattice that does not include conservation of charge (monopole), but instead conserves a vector charge. This makes clear that there is new physics to be found by exploring the consequences of multipolar symmetries on arbitrary lattices, and this work provides the map for the exploration thereof, as well as guiding the search for emergent multipolar symmetries and the attendant exotic phenomena in real materials based on nonhypercubic lattices.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Nuclear Data Sheets for A=194
Experimental nuclear structure and decay data are evaluated for all of 14 known nuclides of mass 194 (Ta, W, Re, Os, Ir, Pt, Au, Hg, Tl, Pb, Bi, Po, At, Rn). Detailed evaluated spectroscopic information is presented for each reaction and decay experiment, and by combining all the available data, recommended values are provided for energies, spins and parities and half-lives of levels, together with energies, branching ratios and multipolarities of gamma radiations from the levels, and characteristics of beta and alpha radiations in radioactive decays. No excited states have yet been identified in 194 Ta, 194 W, and 194 Rn. Only limited spectroscopic data are available for 194 Re, with a 45–μs isomer identified, but its absolute energy yet to be determined. Only two levels at unknown absolute energies are reported for 194 At, both of which are isomeric but neither can be unambiguously identified as the ground state. Data are scarce for 194 Os, 194 Bi and 194 Po, while 194 Pt, 194 Au, 194 Hg, 194 Tl and 194 Pb are well studied through decays and reactions. For 194 Ir, although a major (n, γ), E=thermal study and two particle-transfer studies provide large amounts of spectral data, still several problematic issues are found in the assignment of multipolarities for the secondary gamma transitions in the (n, γ) study by 2008Ba25, 1998Ba85 and 1998Ba42, all from the same group. Some issues have been resolved by the evaluators, but we suggest that further experimental work is needed on 194 Ir structure to resolve standing issues, and verify the conclusions made by 2008Ba25. Furthermore, our attempt to contact the prime authors of the 2008Ba25 paper was not successful. The present work supersedes all the earlier evaluations of A=194 nuclides by 2006Si17, 1996Br26, 1989Si01 and 1972Au11.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Experimental X-ray Charge-Density Studies–A Suitable Probe for Superconductivity? A Case Study on MgB 2
Case studies of 1T-TiSe 2 and YBa 2 Cu 3 O 7-δ have demonstrated that X-ray diffraction (XRD) studies can be used to trace even subtle structural phase transitions which are inherently connected with the onset of superconductivity in these benchmark systems. However, the utility of XRD in the investigation of superconductors like MgB 2 lacking an additional symmetry-breaking structural phase transition is not immediately evident. Nevertheless, high-resolution powder XRD experiments on MgB 2 in combination with maximum entropy method analyses hinted at differences between the electron density distributions at room temperature and 15 K, that is, below the T c of approx. 39 K. The high-resolution single-crystal XRD experiments in combination with multipolar refinements presented here can reproduce these results but show that the observed temperature-dependent density changes are almost entirely due to a decrease of atomic displacement parameters as a natural consequence of a reduced thermal vibration amplitude with decreasing temperature. Our investigations also shed new light on the presence or absence of magnesium vacancies in MgB 2 samples–a defect type claimed to control the superconducting properties of the compound. Here, we propose that previous reports on the tendency of MgB 2 to form non-stoichiometric Mg 1–x B 2 phases (1 – x ~ 0.95) during high-temperature (HT) synthesis might result from the interpretation of XRD data of insufficient resolution and/or usage of inflexible refinement models. Indeed, advanced refinements based on an Extended Hansen–Coppens multipolar model and high-resolution X-ray data, which consider explicitly the contraction of core and valence shells of the magnesium cations, do not provide any significant evidence for the formation of non-stoichiometric Mg 1–x B 2 phases during HT synthesis.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Early Solar Wind and Dynamo Magnetic Field Topology Predictions for (16) Psyche and Other Asteroids
Abstract Asteroid (16) Psyche is a metal‐rich body that might record an ancient coherent magnetization if some relict crust or mantle is preserved. Herein, we use magnetohydrodynamic simulations to predict (16) Psyche's field topology for several distinct pathways: (i) an early solar wind‐induced magnetization imparted after a larger body was impacted, forming the present‐day asteroid, (ii) a core dynamo magnetization imparted in an asteroid that is either presently largely intact or was a rubble pile, and (iii) magnetization in the turbulent solar nebula disk. For pathway (i) we find the field to be predominantly dipolar and spin axis‐aligned. For pathway (ii) we find the field to be either dipolar and spin axis‐misaligned, or highly multipolar. We also find that (iii) a field produced earlier before the solar nebula cleared, would be highly multipolar. In cases (i) and (ii) we also place constraints on the field strength. Simple detection of a magnetic field without constraining its topology and temporal variability would be insufficient to confirm a remanent source, due to the influence of the present‐day solar wind, electromagnetic induction, and (16) Psyche's high obliquity. For sufficiently strong fields however, the field topology and orientation may reveal key observable consequences of the nature and history of (16) Psyche. Our framework is also broadly applicable to the study of magnetic fields from other asteroids.
79 ASTRONOMY AND ASTROPHYSICS↗
Quadrupolar magnetic excitations in an isotropic spin-1 antiferromagnet
The microscopic origins of emergent behaviours in condensed matter systems are encoded in their excitations. In ordinary magnetic materials, single spin-flips give rise to collective dipolar magnetic excitations called magnons. Likewise, multiple spin-flips can give rise to multipolar magnetic excitations in magnetic materials with spin S ≥ 1. Unfortunately, since most experimental probes are governed by dipolar selection rules, collective multipolar excitations have generally remained elusive. For instance, only dipolar magnetic excitations have been observed in isotropic S = 1 Haldane spin systems. Here, we unveil a hidden quadrupolar constituent of the spin dynamics in antiferromagnetic S = 1 Haldane chain material Y 2 BaNiO 5 using Ni L 3 -edge resonant inelastic x-ray scattering. Our results demonstrate that pure quadrupolar magnetic excitations can be probed without direct interactions with dipolar excitations or anisotropic perturbations. Originating from on-site double spin-flip processes, the quadrupolar magnetic excitations in Y 2 BaNiO 5 show a remarkable dual nature of collective dispersion. While one component propagates as non-interacting entities, the other behaves as a bound quadrupolar magnetic wave. This result highlights the rich and largely unexplored physics of higher-order magnetic excitations.
36 MATERIALS SCIENCE↗
Local properties of the large-scale peaks of the CMB temperature
In the present work, we study the largest structures of the CMB temperature measured by Planck in terms of the most prominent peaks on the sky, which, in particular, are located in the southern galactic hemisphere. Besides these large-scale features, the well-known Cold Spot anomaly is included in the analysis. All these peaks would contribute significantly to some of the CMB large-scale anomalies, as the parity and hemispherical asymmetries, the dipole modulation, the alignment between the quadrupole and the octopole, or in the case of the Cold Spot, to the non-Gaussianity of the field. The analysis of the peaks is performed by using their multipolar profiles, which characterize the local shape of the peaks in terms of the discrete Fourier transform of the azimuthal angle. In order to quantify the local anisotropy of the peaks, the distribution of the phases of the multipolar profiles is studied by using the Rayleigh random walk methodology. Finally, a direct analysis of the 2-dimensional field around the peaks is performed in order to take into account the effect of the galactic mask. The results of the analysis conclude that, once the peak amplitude and its first and second order derivatives at the centre are conditioned, the rest of the field is compatible with the standard model. In particular, it is observed that the Cold Spot anomaly is caused by the large value of curvature at the centre.
79 ASTRONOMY AND ASTROPHYSICS↗
Fracton superfluid hydrodynamics
We examine the hydrodynamics of systems with spontaneously broken multipolar symmetries using a systematic effective field theory. We focus on the simplest nontrivial setting: a system with charge and dipole symmetry, but without momentum conservation. When no symmetries are broken, our formalism reproduces the quartic subdiffusion (ω ~ –ik 4 ) characteristic of “fracton hydrodynamics” with conserved dipole moment. Our formalism also captures spontaneous breaking of charge and/or dipole symmetry. When charge symmetry is spontaneously broken, the hydrodynamic modes are quadratically propagating and quartically relaxing (ω ~ ±k 2 – ik 4 ). When the dipole symmetry is spontaneously broken but the charge symmetry is preserved, then we find quadratically relaxing (diffusive) transverse modes, plus another mode which, depending on parameters, may be either purely diffusive (ω ~ – ik 2 ) or quadratically propagating and quadratically relaxing (ω ~ ± k 2 – ik 2 ). Furthermore, our work provides concrete predictions that may be tested in near-term cold atom experiments, and also lays out a general framework that may be applied to study systems with spontaneously broken multipolar symmetries.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Bright magnetic dipole radiation from two-dimensional lead-halide perovskites
Light-matter interactions in semiconductors are uniformly treated within the electric dipole approximation; multipolar interactions are considered “forbidden.” We experimentally demonstrate that this approximation inadequately describes light emission in two-dimensional (2D) hybrid organic-inorganic perovskites (HOIPs), solution processable semiconductors with promising optoelectronic properties. By exploiting the highly oriented crystal structure, we use energy-momentum spectroscopies to demonstrate that an exciton-like sideband in 2D HOIPs exhibits a multipolar radiation pattern with highly directed emission. Electromagnetic and quantum-mechanical analyses indicate that this emission originates from an out-of-plane magnetic dipole transition arising from the 2D character of electronic states. Symmetry arguments and temperature-dependent measurements suggest a dynamic symmetry-breaking mechanism that is active over a broad temperature range. These results challenge the paradigm of electric dipole–dominated light-matter interactions in optoelectronic materials, provide new perspectives on the origins of unexpected sideband emission in HOIPs, and tease the possibility of metamaterial-like scattering phenomena at the quantum-mechanical level.
42 ENGINEERING↗
Linear polarization–direction correlations in $\gamma $-ray scattering experiments
Scattering measurements with incident linearly polarized γ rays provide information on spins, parities, and γ-ray multipolarity mixing coefficients, and, therefore, on the nuclear matrix elements involved in the transitions. Here, we present the general formalism for analyzing the observed angular correlations. The expressions are used to compute three-dimensional radiation patterns, which are important tools for optimizing experimental setups. Frequently, γ-ray transitions can proceed via two multipolarities that mix coherently. In such cases, the relative phases of the nuclear matrix elements are important when comparing results from different measurements. We discuss different phase conventions that have been used in the literature and present their relationships. Finally, we propose a basic experimental geometry consisting of detectors located at four different spatial locations. For this geometry, we present the measured anisotropies of the emitted γ rays in graphical format as an aid in the data analysis.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Hydrodynamics of higher-rank gauge theories
We extend recent work on hydrodynamics with global multipolar symmetries — known as “fracton hydrodynamics” — to systems in which the multipolar symmetries are gauged. We refer to the latter as “fracton magnetohydrodynamics”, in analogy to conventional magnetohydrodynamics (MHD), which governs systems with gauged charge conservation. We show that fracton MHD arises naturally from higher-rank Maxwell’s equations and in systems with one-form symmetries obeying certain constraints; while we focus on “minimal” higher-rank generalizations of MHD that realize diffusion, our methods may also be used to identify other, more exotic hydrodynamic theories (e.g., with magnetic subdiffusion). In contrast to semi-microscopic derivations of MHD, our approach elucidates the origin of the hydrodynamic modes by identifying the corresponding higher-form symmetries. Being rooted in symmetries, the hydrodynamic modes may persist even when the semi-microscopic equations no longer provide an accurate description of the system.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations
In QM/MM calculations, it is essential to handle electrostatic interactions between the QM and MM subsystems accurately and efficiently. To achieve maximal efficiency, it is convenient to adopt a hybrid scheme, where the QM electron density is used explicitly in the evaluation of short-range QM/MM electrostatic interactions, while a multipolar representation for the QM electron density is employed to account for the long-range QM/MM electrostatic interactions. In order to avoid energy discontinuity at the cutoffs, which separate the short- and long-range QM/MM electrostatic interactions, a switching function should be utilized to ensure a smooth potential energy surface. In this study, we benchmarked the accuracy of such hybrid embedding schemes for QM/MM electrostatic interactions using different multipolar representations, switching functions and cutoff distances. For test systems (neutral and anionic oxyluciferin in MM (aqueous and enzyme) environments), the best accuracy was acquired with a combination of QM electrostatic potential (ESP) charges and dipoles and two switching functions (long-range electrostatic corrections (LREC) and Switch) in the treatment of long-range QM/MM electrostatics. It allowed us to apply a 10Å distance cutoff and still obtain QM/MM electrostatics/polarization energies within 0.1 kcal/mol and time-dependent density functional theory (TDDFT)/MM vertical excitation energies within 10−3 eV from theoretical reference values.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗