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Noncollinear spin structure with weak ferromagnetism in NbMnP

NbMnP is a metallic material, which consists of the zigzag chains of Mn moments along the b axis. The magnetic susceptibility as well as the resistivity shows an anomaly at 233 K, which indicates an antiferromagnetic phase transition. Our neutron powder diffraction experiment reveals that the magnetic structure is a Q=0 structure and noncollinear with an easy plane anisotropy perpendicular to the b axis, and the a- and c-axis magnetic components align antiferromagnetically and ferromagnetically along the zigzag chain direction, respectively. The ordered moment is 1.2μ B , which is reduced probably due to the itineracy of the Mn moments. A localized picture model suggests that the Q=0 magnetic structure is formed by the frustration among several exchange couplings. A weak ferromagnetic component is also present in the antiferromagnetic phase, which is considered to be caused by a Dzyaloshinskii-Moriya interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Three-dimensional inhomogeneity of electron-temperature-gradient turbulence in the edge of tokamak plasmas

Nonlinear multiscale gyrokinetic simulations of a Joint European Torus edge pedestal are used to show that electron-temperature-gradient (ETG) turbulence has a rich three-dimensional structure, varying strongly according to the local magnetic-field configuration. In the plane normal to the magnetic field, the steep pedestal electron temperature gradient gives rise to anisotropic turbulence with a radial (normal) wavelength much shorter than in the binormal direction. In the parallel direction, the location and parallel extent of the turbulence are determined by the variation in the magnetic drifts and finite-Larmor-radius (FLR) effects. The magnetic drift and FLR topographies have a perpendicular-wavelength dependence, which permits turbulence intensity maxima near the flux-surface top and bottom at longer binormal scales, but constrains turbulence to the outboard midplane at shorter electron-gyroradius binormal scales. Here our simulations show that long-wavelength ETG turbulence does not transport heat efficiently, and significantly decreases overall ETG transport—in our case by ~40%—through multiscale interactions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High-energy neutrino emission from magnetized jets of rapidly rotating protomagnetars

ABSTRACT Relativistic jets originating from protomagnetar central engines can lead to long duration gamma-ray bursts (GRBs) and are considered potential sources of ultra-high-energy cosmic rays and secondary neutrinos. We explore the propagation of such jets through a broad range of progenitors, from stars which have shed their envelopes to supergiants which have not. We use a semi-analytical spin-down model for the strongly magnetized and rapidly rotating protoneutron star (PNS) to investigate the role of central engine properties such as the surface dipole field strength, initial rotation period, and jet opening angle on the interactions and dynamical evolution of the jet-cocoon system. With this model, we determine the properties of the relativistic jet, the mildly relativistic cocoon, and the collimation shock in terms of system parameters such as the time-dependent jet luminosity, injection angle, and density profile of the stellar medium. We also analyse the criteria for a successful jet breakout, the maximum energy that can be deposited into the cocoon by the relativistic jet, and structural stability of the magnetized outflow relative to local instabilities. Lastly, we compute the high-energy neutrino emission as these magnetized outflows burrow through their progenitors. Precursor neutrinos from successful GRB jets are unlikely to be detected by IceCube, which is consistent with the results of previous works. On the other hand, we find that high-energy neutrinos may be produced for extended progenitors like blue and red supergiants, and we estimate the detectability of neutrinos with next generation detectors such as IceCube-Gen2.

Astronomy & Astrophysics↗

Structural properties of plastically deformed SrTiO 3 and KTaO 3

Dislocation engineering has the potential to open new avenues toward the exploration and modification of the properties of quantum materials. Strontium titanate (SrTi⁢O 3 , STO) and potassium tantalate (KTa⁢O 3 , KTO) are incipient ferroelectrics that show metallization and superconductivity at extremely low charge-carrier concentrations and have been the subject of resurgent interest. These materials also exhibit remarkable ambient-temperature ductility, and thus represent exceptional platforms for studies of the effects of deformation-induced dislocation structures on electronic properties. Recent work on plastically deformed STO revealed an enhancement of the superconducting transition temperature and the emergence of local ferroelectricity and magnetism near self-organized dislocation walls. Here, in this work, we present a comprehensive structural analysis of plastically deformed STO and KTO, employing specially designed strain cells, diffuse neutron and x-ray scattering, Raman scattering, and nuclear magnetic resonance (NMR). Diffuse scattering and NMR provide insight into the dislocation configurations and densities and their dependence on strain. As in the prior work on STO, Raman scattering reveals evidence for local ferroelectric order near dislocation walls in plastically deformed KTO. Our findings provide valuable information about the self-organized defect structures in both materials, and they position KTO as a second model system in which to explore the associated emergent physics.

36 MATERIALS SCIENCE↗

Magnetic field-induced non-trivial electronic topology in Fe3− x GeTe2

The anomalous Hall, Nernst, and thermal Hall coefficients of the itinerant ferromagnet Fe3−xGeTe2 display anomalies upon cooling that are consistent with a topological transition that could induce deviations with respect to the Wiedemann–Franz (WF) law. This law has not yet been validated for the anomalous transport variables, with recent experimental studies yielding material-dependent results. Nevertheless, the anomalous Hall and thermal Hall coefficients of Fe3−xGeTe2 are found, within our experimental accuracy, to satisfy the WF law for magnetic fields μ0H applied along its c axis. Remarkably, large anomalous transport is also observed for μ0H||a axis with the field aligned along the gradient of the chemical potential generated by thermal gradients or electrical currents, a configuration that should not lead to their observation. These anomalous planar quantities are found to not scale with the component of the planar magnetization (M||), showing instead a sharp decrease beyond μ0H||= 4 T or the field required to align the magnetic moments along μ0H||. We argue that chiral spin structures associated with Bloch domain walls lead to a field-dependent spin chirality that produces a novel type of topological transport in the absence of interaction between the magnetic field and electrical or thermal currents. Locally chiral spin structures are captured by our Monte Carlo simulations incorporating small Dzyaloshinskii–Moriya and biquadratic exchange interactions. These observations reveal not only a new way to detect and expose topological excitations, but also a new configuration for heat conversion that expands the current technological horizon for thermoelectric energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases

The crystal structure used as input to electronic structure calculation of conventionally bonded solids consists primarily of the standard crystallographic degrees of freedom. Quantum solids sometimes have additional microscopic degrees of freedom (m-DOF) nested within the crystallographic structure. These might include local motifs including positional (Peierls dimers, deformed octahedra, Jahn-Teller distortions), magnetic (local moment configurations) and dipolar (local ferroelectric configurations). Such motifs can be observed experimentally via local probes that avoid averaging, and theoretically as distinct total energy lowering features relative to more simplified “average crystallographic structures”. Here we examine the ability of electronic structure methods independent of strong correlation physics to explain the broad phenomenology of metal-insulator selectivity in quantum oxides by energy-lowering symmetry breaking. We do this by avoiding the restriction of considering only (i) electron-electron interactions in a fixed unresponsive lattice—as done in Mott strong correlation explanations—allowing, however, (ii) local positional and magnetic motifs that coexist within a crystallographic landscape. We find in a broad range of quantum oxides with different symmetry breaking modes the formation of split-off flat bands that can also control metallic versus insulating characteristics. The split-off band effect is common to magnetic and non-magnetic materials, including both binary and ternary oxides. One finds that when such local symmetry breaking motifs are considered in mean-field-like (e.g. density functional theory) electronic structure calculations of quantum oxides, they explain many of the observed trends in metal vs insulator phases discussed otherwise in prior literature via strong correlation in symmetry unbroken view.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Solitary Magnetic Structures Developed From Gyro-Resonance With Solar Wind Ions at Mars and Earth

We investigate solitary magnetic structures in the foreshock of Mars and Earth. The structures exhibit pulse-like magnetic field and density enhancements along with plasma heating and local solar wind (SW) ion reflection. The structures at Mars resemble the foreshock structures developed from ultra-low-frequency electromagnetic waves gyro-resonant with SW ions at Earth, and propagate toward the magnetosphere. We perform fully kinetic simulations to reproduce the solitary structures and the nonlinear evolution of ion distribution functions, illustrating their resonance with SW ions. The structures present self-induced foreshock turbulence that can have space weather effects. Our results advance the fundamental understanding of how SW interacts with planetary magnetospheres, and have potential impact on the current picture of planet-origin ion escape.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnetism in Mixed Valence, Defect, Cubic Perovskites: BaIn 1– x Fe x O 2.5+δ , x = 0.25, 0.50, and 0.75. Local and Average Structures

The series BaIn 1–x Fe x O 2.5+δ , x = 0.25, 0.50, and 0.75, has been prepared under air-fired and argon-fired conditions and studied using X-ray diffraction, d.c. and a.c. susceptibility, Mössbauer spectroscopy, neutron diffraction, X-ray near edge absorption spectroscopy (XANES), and X-ray pair distribution (PDF) methods. While Ba 2 In 2 O 5 (BaInO 2.5 ) crystallizes in an ordered brownmillerite structure, Ibm2, and Ba 2 Fe 2 O 5 (BaFeO 2.5 ) crystallizes in a complex monoclinic structure, P2 1 /c, showing seven Fe 3+ sites with tetrahedral, square planar, and octahedral environments, all phases studied here crystallize in the cubic perovskite structure, Pm$\bar{}3}$m, with long-range disorder on the small cation and oxygen sites. 57 Fe Mössbauer studies indicate a mixed valency, Fe 4+ /Fe 3+ , for both the air-fired and argon-fired samples. The increased Fe 3+ content for the argon-fired samples is reflected in increased cubic cell constants and in the increased Mössbauer fraction. It appears that the Pm$\bar{}3}$m phases are only metastable when fired in argon. From a slightly modified percolation theory for a primitive cubic lattice (taking into account the presence of random O atom vacancies), long-range spin order is permitted for the x = 0.50 and 0.75 phases. Instead, the d.c. susceptibility shows only zero-field-cooled (ZFC) and field-cooled (FC) divergences at ~6 K [5 K] for x = 0.50 and at ~22 K [21 K] for x = 0.75, with values for the argon-fired samples in [ ]. Neutron diffraction data for the air-fired samples confirm the absence of long-range magnetic order at any studied temperature. For the air-fired x = 0.50, a.c. susceptibility data show a frequency-dependent χ'(max) and spin glass behavior, while for x = 0.75, χ'(max) is invariant with frequency, ruling out either a spin glass or a superparamagnetic ground state. These behaviors are discussed in terms of competing Fe 3+ –Fe 3+ antiferromagnetic exchange and ferromagnetic Fe 3+ –Fe 4+ exchange. The PDF and 57 Fe Mössbauer data indicate a local structure at short interatomic distances, which deviates strongly from the average Pm$\bar{}3}$m model. Fe Mössbauer, PDF, and XANES data show a systematic dependence on x and indicate that the Fe 3+ sites are largely fourfold-coordinated and Fe 4+ sites are fivefold- or sixfold-coordinated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic structure and resistivity minimum in GdCuAs 2

The electrical resistivity of GdCuAs 2 single crystals exhibits an anomalous Kondo-like resistivity minimum above the antiferromagnetic ordering temperature T N 1 approximate to 10.6 K, which is unusual for a highly localized 4f-moment (Gd 3+ ) system. Using x-ray resonant magnetic scattering, we determined the magnetic structure of GdCuAs 2 , where Gd moments are antiferromagnetically aligned along the crystallographic a axis and in the (+ + --) arrangement in the c direction and ferromagnetically arranged in the b direction. The antiferromagnetic order appears first at q = (δ, 0, 0.5) below 10 K, with an incommensurate modulation along the a axis and locks into a commensurate position at q = (1/3, 0, 0.5) below T N 2 approximate to 6 K. Our high-resolution x-ray diffraction measurements show a two-peak structure at Q = (2, 0, 6) above the resistivity minimum, suggesting a lower-symmetry crystal structure than the reported tetragonal structure, and the Q = (2, 0, 6) peak becomes a sharp one-peak structure below the resistivity minimum, implying a magnetoelastic coupling above T N . In conclusion, our findings suggest a complex interplay between the crystal structure and antiferromagnetic structure through a magnetoelastic coupling, associated with the anomalous resistivity minimum above T N 1 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTi O 3

Here we consider theoretically the paramagnetic phases of EuTiO 3 that represent configurations created by two sets of microscopic degrees of freedom (m-DOFs): positional symmetry breaking due to octahedral rotations and magnetic symmetry breaking due to spin disorder. The effect of these sets of m-DOFs on the electronic structure and properties of the para phases is assessed by considering sufficiently large (super) cells with the required nominal global average symmetry, allowing, however, the $\mathcal{local}$ positional and magnetic symmetries to be lowered. We find that tendencies for local symmetry breaking can be monitored by following total energy lowering in mean-fieldlike density-functional theory, without recourse for strong correlation effects. While most nominally cubic ABO 3 perovskites are known for their symmetry breaking due to the B-atom sublattice, the case of f-electron magnetism in EuTiO 3 is associated with A-sublattice symmetry breaking and its coupling to structural distortions. We find that (i) paramagnetic $\mathcal{cubic}$ EuTiO 3 has an intrinsic tendency for both magnetic and positional symmetry breaking, while paramagnetic $\mathcal{tetragonal}$ EuTiO 3 has only magnetic symmetry lowering and no noticeable positional symmetry lowering with respect to low-temperature antiferromagnetic tetragonal phase. (ii) Properly modeled paramagnetic tetragonal and cubic EuTiO 3 have a nonzero local magnetic moment on each Eu ion, consistent with the experimental observations of local magnetism in the para phases of EuTiO 3 significantly above the Néel temperature. Interestingly, (iii) the local positional distortion modes in the short-range ordered para phases are inherited from the long-range ordered low-temperature antiferromagnetic ground-state phase.

36 MATERIALS SCIENCE↗

Zoology of Multiple- Q Spin Textures in a Centrosymmetric Tetragonal Magnet with Itinerant Electrons

Magnetic skyrmion is a topologically stable particle-like swirling spin texture potentially suitable for high-density information bit, which was first observed in noncentrosymmetric magnets with Dzyaloshinskii–Moriya interaction. Recently, nanometric skyrmion has also been discovered in centrosymmetric rare-earth compounds, and the identification of their skyrmion formation mechanism and further search of nontrivial spin textures are highly demanded. Here, magnetic structures in a prototypical skyrmion-hosting centrosymmetric tetragonal magnet GdRu2Si2 is exhaustively studied by performing the resonant X-ray scattering experiments. A rich variety of double-Q magnetic structures, including the antiferroic order of meron(half-skyrmion)/anti-meron-like textures with fractional local topological charges are identified. The observed intricate magnetic phase diagram is successfully reproduced by the theoretical framework considering the four-spin interaction mediated by itinerant electrons and magnetic anisotropy. The present results will contribute to the better understanding of the novel skyrmion formation mechanism in this centrosymmetric rare-earth compound, and suggest that itinerant electrons can ubiquitously host a variety of unique multiple-Q spin orders in a simple crystal lattice system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Magnetism in metastable and annealed compositionally complex alloys

Compositionally complex materials (CCMs) present a potential paradigm shift in the design of magnetic materials. These alloys exhibit long-range structural order coupled with limited or no chemical order. As a result, extreme local environments exist with a large variations in the magnetic energy terms, which can manifest large changes in the magnetic behavior. In the current work, the magnetic properties of (Cr, Mn, Fe, Ni) alloys are presented. These materials were prepared by room-temperature combinatorial sputtering, resulting in a range of compositions with a single bcc structural phase and no chemical ordering. The combinatorial growth technique allows CCMs to be prepared outside of their thermodynamically stable phase, enabling the exploration of otherwise inaccessible order. The mixed ferromagnetic and antiferromagnetic interactions in these alloys causes frustrated magnetic behavior, which results in an extremely low coercivity (<1mT), which increases rapidly at 50 K. At low temperatures, the coercivity achieves values of nearly 500 mT, which is comparable to some high-anisotropy magnetic materials. Further, commensurate with the divergent coercivity is an atypical drop in the temperature dependent magnetization. These effects are explained by a mixed magnetic phase model, consisting of ferro-, antiferro-, and frustrated magnetic regions, and are rationalized by simulations. A machine-learning algorithm is employed to visualize the parameter space and inform the development of subsequent compositions. Annealing the samples at 600 °C orders the sample, more-than doubling the Curie temperature and increasing the saturation magnetization by as much as 5×. Simultaneously, the large coercivities are suppressed, resulting in magnetic behavior that is largely temperature independent over a range of 350 K. The ability to transform from a hard magnet to a soft magnet over a narrow temperature range makes these materials promising for heat-assisted recording technologies.

36 MATERIALS SCIENCE↗

Capturing 3D atomic defects and phonon localization at the 2D heterostructure interface

The three-dimensional (3D) local atomic structures and crystal defects at the interfaces of heterostructures control their electronic, magnetic, optical, catalytic, and topological quantum properties but have thus far eluded any direct experimental determination. Here, we use atomic electron tomography to determine the 3D local atomic positions at the interface of a MoS 2 -WSe 2 heterojunction with picometer precision and correlate 3D atomic defects with localized vibrational properties at the epitaxial interface. We observe point defects, bond distortion, and atomic-scale ripples and measure the full 3D strain tensor at the heterointerface. By using the experimental 3D atomic coordinates as direct input to first-principles calculations, we reveal new phonon modes localized at the interface, which are corroborated by spatially resolved electron energy-loss spectroscopy. We expect that this work will pave the way for correlating structure-property relationships of a wide range of heterostructure interfaces at the single-atom level.

42 ENGINEERING↗

Bolometer tomography on Wendelstein 7-X for study of radiation asymmetry

The algorithm for bolometer tomography at Wendelstein 7-X (W7-X) has been recently improved using a novel regularization functional, based on relative gradient smoothing (RGS) of the sought radiation profile. It has been validated using radiation patterns provided by 3D modeling under real plasma conditions as phantoms and then applied to bolometer measurements performed during the first divertor operation phase of W7-X. The following results are presented: 1) edge-localized 2D radiation patterns with clearly resolved magnetic island radiation structures, 2) an up-down asymmetry in the impurity radiation that is not captured by the 3D edge plasma transport modeling, 3) reversal of the asymmetry with reversed magnetic field direction. Further analysis reveals a poloidal variation of the emissivity in the outer confined plasma region with a field-direction dependent asymmetry, also supported by the soft X-ray measurements. This asymmetry is considered to be related to asymmetric impurity distributions, driven by the pronounced ion-impurity friction force at the plasma edge where the collisionality of the W7-X plasma is sufficiently high to develop impurity asymmetry as predicted by neoclassical theory of parallel impurity transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Absence of magnetoelastic deformation in the spin-chain compound CuBr 2

Here, we investigate a spin-$\frac{1}{2}$ antiferromagnet, CuBr 2 , which has quasi-one-dimensional structural motifs. The system has previously been observed to exhibit unusual Raman modes possibly due to a locally deformed crystal structure driven by the low-dimensional magnetism. Using hard x-ray scattering and neutron total scattering, here we aim to verify a specific form of tetramerizing deformation proposed in the previous study. Apart from diffuse scattering signals, which we can reproduce by performing a thorough modeling of the lattice's thermal vibrations, we do not observe evidence for a tetramerized lattice structure within our detection sensitivity. Consequently, we consider it unlikely that the unusual Raman modes in CuBr 2 arise from quantum spin-singlet-driven lattice deformations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Local spectroscopy of a gate-switchable moiré quantum anomalous Hall insulator

Abstract In recent years, correlated insulating states, unconventional superconductivity, and topologically non-trivial phases have all been observed in several moiré heterostructures. However, understanding of the physical mechanisms behind these phenomena is hampered by the lack of local electronic structure data. Here, we use scanning tunnelling microscopy and spectroscopy to demonstrate how the interplay between correlation, topology, and local atomic structure determines the behaviour of electron-doped twisted monolayer–bilayer graphene. Through gate- and magnetic field-dependent measurements, we observe local spectroscopic signatures indicating a quantum anomalous Hall insulating state with a total Chern number of ±2 at a doping level of three electrons per moiré unit cell. We show that the sign of the Chern number and associated magnetism can be electrostatically switched only over a limited range of twist angle and sample hetero-strain values. This results from a competition between the orbital magnetization of filled bulk bands and chiral edge states, which is sensitive to strain-induced distortions in the moiré superlattice.

36 MATERIALS SCIENCE↗

Hidden Local Symmetry Breaking in a Kagome-Lattice Magnetic Weyl Semimetal

Exploring the relationship between intriguing physical properties and structural complexity is a central topic in studying modern functional materials. Co 3 Sn 2 S 2 , a newly discovered kagome-lattice magnetic Weyl semimetal, has triggered intense interest owing to the intimate coupling between topological semimetallic states and peculiar magnetic properties. However, the origins of the magnetic phase separation and spin glass state below T C in this ordered compound are two unresolved yet important puzzles in understanding its magnetism. Here, we report the discovery of local symmetry breaking surprisingly co-emerges with the onset of ferromagnetic order in Co 3 Sn 2 S 2 , by a combined use of neutron total scattering and half-polarized neutron diffraction. An anisotropic distortion of the cobalt kagome lattice at the atomic/nano level is also found, with distinct distortion directions among the two Co1 and four Co2 atoms. The mismatch of local and average symmetries occurs below T C , indicating that Co 3 Sn 2 S 2 evolves to an intrinsically lattice disordered system when the ferromagnetic order is established. The local symmetry breaking with intrinsic lattice disorder provides new understanding of the puzzling magnetic properties. Our density functional theory (DFT) calculation indicates that the local symmetry breaking is expected to reorient local ferromagnetic moments, unveiling the existence of the ferromagnetic instability associated with the lattice instability. Furthermore, DFT calculation unveils that the local symmetry breaking could affect the Weyl property by breaking the mirror plane. In conclusion, our findings highlight the fundamentally important role that the local symmetry breaking plays in advancing our understanding on the magnetic and topological properties in Co 3 Sn 2 S 2 , which may draw attention to explore the overlooked local symmetry breaking in Co 3 Sn 2 S 2 , its derivatives and more broadly in other topological Dirac/Weyl semimetals and kagome-lattice magnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Itinerant ferromagnetism and intrinsic anomalous Hall effect in amorphous iron-germanium

The amorphous iron-germanium system ( a - Fe x Ge 1 - x ) lacks long-range structural order and hence lacks a significant Brillouin zone. The magnetization of a - Fe x Ge 1 - x is well explained by the Stoner model for Fe concentrations x above the onset of magnetic order around x = 0.4 , indicating that the local order of the amorphous structure preserves the spin-split density of states of the Fe- 3 d states sufficiently to polarize the electronic structure despite k being a bad quantum number. Measurements reveal an enhanced anomalous Hall resistivity ρ x y AH relative to crystalline FeGe; this ρ x y AH is compared to density-functional theory calculations of the anomalous Hall conductivity to resolve its underlying mechanisms. The intrinsic mechanism, typically understood as the Berry curvature integrated over occupied k states but shown here to be equivalent to the density of curvature integrated over occupied energies in aperiodic materials, dominates the anomalous Hall conductivity of a - Fe x Ge 1 - x ( 0.38 ≤ x ≤ 0.61 ). The density of curvature is the sum of spin-orbit correlations of local orbital states and can hence be calculated with no reference to k space. This effect and the accompanying Stoner-like model for the intrinsic anomalous Hall conductivity establish a unified understanding of the underlying physics of the anomalous Hall effect in both crystalline and disordered systems.

36 MATERIALS SCIENCE↗