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At least 73 records · Page 4

Neural architecture codesign for fast physics applications

We develop a pipeline to streamline neural architecture codesign for physics applications to reduce the need for ML expertise when designing models for novel tasks. Our method employs neural architecture search and network compression in a two-stage approach to discover hardware efficient models. This approach consists of a global search stage that explores a wide range of architectures while considering hardware constraints, followed by a local search stage that fine-tunes and compresses the most promising candidates. We exceed performance on various tasks and show further speedup through model compression techniques such as quantization-aware-training and neural network pruning. We synthesize the optimal models to high level synthesis code for FPGA deployment with the hls4ml library. Additionally, our hierarchical search space provides greater flexibility in optimization, which can easily extend to other tasks and domains. We demonstrate this with two case studies: Bragg peak finding in materials science and jet classification in high energy physics, achieving models with improved accuracy, smaller latencies, or reduced resource utilization relative to the baseline models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Charge density fluctuations with enhanced superconductivity at the proposed quantum critical point of Sr0.77⁢Ba0.23⁢Ni2⁢As2

A quantum critical point (QCP) represents a continuous phase transition at absolute zero. In unconventional superconductors, enhanced superconducting transition temperature and magnetic fluctuation strength are often observed together, indicating magnetism-mediated superconductivity. This raises the question of whether quantum fluctuations in other degrees of freedom, such as charge, could similarly boost superconductivity. However, because charge is frequently intertwined with magnetism, isolating and understanding its specific role in Cooper pair formation pose a significant challenge. Here, we report persistent charge density fluctuations (CDFs) down to 15 K in the nonmagnetic superconductor Sr0.77⁢Ba0.23⁢Ni2⁢As2, which lie near a proposed nematic QCP associated with a sixfold enhancement of superconductivity. Our results show that the quasielastic CDFs do not condense into resolution-limited Bragg peaks but, rather, display nonsaturated strength. The phonons associated with CDFs completely soften at 25 K, with their critical behavior described by the same mathematical framework as the antiferromagnetic Fermi liquid model, yielding a fitted Curie-Weiss temperature of 𝜃≈0K. Additionally, we find that the nematic fluctuations are weakly coupled to the lattice, as evidenced by the absence of softening in nematic-coupled in-plane transverse acoustic phonons. Our discovery positions Sr𝑥⁢Ba1−𝑥⁢Ni2⁢As2 as a promising candidate for charge-fluctuation-driven superconductivity.

Aczel, Adam [ORNL] (ORCID:0000000319641943)↗

High-resolution neutron diffraction determination of noncollinear antiferromagnetic order in the honeycomb magnetoelectric Fe 4 ⁢Nb 2⁢ O 9

Magnetoelectric systems offer potential for device applications exploiting coupled states between electric and magnetic properties. Among magnetoelectric materials, Fe 4 ⁢Nb 2 ⁢O 9 has attracted special attention because of its pronounced dielectric signal at high magnetic transition temperatures. However, the magnetic ground state, which is essential information for understanding its unusual magnetoelectricity, remains unclarified. Here, we report a noncollinear magnetic ground state of Fe 4 ⁢Nb 2 ⁢O 9 . To examine the magnetoelectric effect associated with sequential magnetic and structural transitions upon cooling, we conducted combined x-ray diffraction, magnetic susceptibility, magnetization, dielectric constant, and magnetodielectric experiments. Powder neutron diffraction experiments revealed a series of magnetic Bragg peaks and clear splitting of peaks via structural transition. Magnetic Rietveld refinements, combined with group theory analysis, determined a noncollinear antiferromagnetic structure including a significant 𝑐-axis moment component at 1.5 K. This article provides insights into the understanding of its magnetoelectric properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

3⁢𝑄 magnetic order with spatially alternating spin scalar chirality in overdoped C⁢o 0.336⁢ Ta⁢S 2

C⁢o 𝑥 ⁢Ta⁢S 2 (𝑥≈1/3) exhibits a spontaneous Hall effect from spin texture in antiferromagnets, with a tetrahedral triple-Q (3Q) order and uniform spin scalar chirality. Upon Co overdoping (𝑥>1/3), it undergoes a shift in magnetic ordering vectors from 𝐐 m =(1/2, 0, 0) to (1/3, 0, 0). Interestingly, the spontaneous Hall effect disappeared in the overdoped regime, which was originally attributed to the loss of 3Q order. However, a question remains whether a new type of 3Q order can exist with alternating chirality in the overdoped regime. To address this, we investigated C⁢o 0.336⁢ Ta⁢S 2 using inelastic neutron scattering (INS), neutron diffraction, and optical dichroism, and found that INS data and spin-wave simulations support a 3Q order with alternating chirality. Moreover, neutron diffraction data show field-independent Bragg peaks, while linear dichroism detects no in-plane anisotropy, consistent with threefold rotation symmetry. Our data support the scenario of an alternating-chirality 3Q order in C⁢o 0.336 ⁢Ta⁢S 2 , canceling the spontaneous Hall effect. Furthermore, this study highlights a combined neutron-optical approach to identify complex spin textures.

Landau-Lifschitz-Gilbert equation↗

Strain-induced orbital-energy shift in antiferromagnetic RuO 2 revealed by resonant elastic x-ray scattering

In its ground state, RuO 2 was long thought to be an ordinary metallic paramagnet. Recent neutron and x-ray diffraction revealed that bulk RuO 2 is an antiferromagnet with T N above 300 K. Furthermore, epitaxial strain induces superconductivity in thin films of RuO 2 below 2 K. Here, we present a resonant elastic x-ray scattering study at the Ru L 2 edge of the strained RuO 2 films exhibiting the strain-induced superconductivity. Here, we observe an azimuthal modulation of the 100 Bragg peak consistent with bulk. Most notably, in the strained films displaying superconductivity, we observe a ~ 1 eV shift of the Ru e g orbitals to a higher energy. The energy shift is smaller in thicker, relaxed films and films with a different strain direction. Our results provide further evidence of the utility of epitaxial strain as a tuning parameter in complex oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spin canting and lattice symmetry in La 2 CuO 4

While the dominant magnetic interaction in La 2 CuO 4 is superexchange between nearest-neighbor Cu moments, the pinning of the spin direction depends on weak anisotropic effects associated with spin-orbit coupling. The symmetry of the octahedral tilt pattern allows an out-of-plane canting of the Cu spins, which is compensated by an opposite canting in nearest-neighbor layers. A strong magnetic field applied perpendicular to the planes can alter the spin canting pattern to induce a weak ferromagnetic phase. In light of recent evidence that the lattice symmetry is lower than originally assumed, we take another look at the nature of the field-induced spin-rotation transition. Comparing low-temperature neutron diffraction intensities for several magnetic Bragg peaks measured in fields of 0 and 14 T, we find that a better fit is provided by a model in which spins rotate within both neighboring planes but by different amounts, resulting in a noncollinear configuration. Finally, this model allows a more consistent relationship between lattice symmetry and spin orientation at all Cu sites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High-pressure phase of cold-compressed bulk graphite and graphene nanoplatelets

Here, we have studied the high-pressure vibrational and structural behavior of bulk graphite and graphene nanoplatelets at room temperature by means of high-pressure Raman spectroscopic and x-ray diffraction probes. We have detected a clear pressure-induced structural transition in both materials, evidenced by the appearance of new Bragg peaks and Raman features, deviating from the starting hexagonal graphitic structure. The high-pressure phase is identified as a partially disordered orthorhombic structure, consisting of mixed sp 2 - and sp 3 -type bonding. Our experimental findings serve as direct evidence for the existence of a metastable transient modification in cold compressed carbon, lying between the sp 2 -type graphite and sp 3 -type diamond allotropes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Antiferromagnetic real-space configuration probed by dichroism in scattered x-ray beams with orbital angular momentum

X-ray beams with orbital angular momentum (OAM) are a promising tool for x-ray characterization techniques. Beams with OAM have a helicity - an azimuthally varying phase - which leads to a gradient of the light field. New material properties can be probed by utilizing the helicity of an OAM beam. Here, we demonstrate a dichroic effect in resonant diffraction from an artificial antiferromagnet with a topological defect. We found that the scattered OAM beam has circular dichroism at the antiferromagnetic Bragg peak whose sign is coupled to its helicity, which reveals the real-space configuration of the antiferromagnetic ground state. Thermal cycling of the artificial antiferromagnet can change the ground state, as indicated by reversal of the sign of circular dichroism. This result is one of the first demonstrations of a soft x-ray spectroscopy characterization technique utilizing the OAM of x rays. In conclusion, this helicity-dependent circular dichroism exemplifies the potential to utilize OAM beams to probe matter in a way that is inaccessible using currently available x-ray techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum spin ice response to a magnetic field in the dipole-octupole pyrochlore Ce 2 Zr 2 O 7

The pyrochlore magnet Ce 2 Zr 2 O 7 has attracted much attention as a quantum spin ice candidate whose novelty derives in part from the dipolar-octupolar nature of the Ce 3+ pseudospin-1/2 degrees of freedom it possesses. We report heat capacity measurements on single crystal samples of Ce 2 Zr 2 O 7 down to T~0.1K in a magnetic field along the [$1,\bar{1},0$] direction. These measurements show that the broad hump in the zero-field heat capacity moves higher in temperature with increasing field strength and is split into two separate humps by the [$1,\bar{1},0$] magnetic field at ~2T. These separate features are due to the decomposition of the pyrochlore lattice into effectively decoupled chains for fields in this direction: One set of chains (α chains) is polarized by the field while the other (β chains) remains free. This situation is similar to that observed in the classical spin ices Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , but with the twist that here the strong transverse exchange interactions produce substantial quantum effects. Our theoretical modeling suggests that the β chains are close to a critical state, with nearly-gapless excitations. We also report elastic and inelastic neutron scattering measurements on single crystal Ce 2 Zr 2 O 7 in [$1,\bar{1},0$] and [0,0,1] magnetic fields at temperatures down to T=0.03K. The elastic scattering behaves consistently with the formation of independent chains for a [$1,\bar{1},0$] field, while the [0,0,1] field produces a single field-induced elastic magnetic Bragg peak at (0,2,0) and equivalent wavevectors, indicating a polarized spin ice state for fields above ~3T. For both [$1,\bar{1},0$] and [0,0,1] magnetic fields, our inelastic neutron scattering results show an approximately dispersionless continuum of scattering that increases in both energy and intensity with increasing field strength. By modeling the complete set of experimental data using numerical linked cluster and semiclassical molecular dynamics calculations, we demonstrate the dominantly multipolar nature of the exchange interactions in Ce 2 Zr 2 O 7 and the smallness of the parameter θ, which controls the mixing between dipolar and octupolar degrees of freedom. Finally, these results support previous estimates of the microscopic exchange parameters and place strong constraints on the theoretical description of this prominent spin ice candidate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Imaging interfacial topography with coherent x-ray reflectivity

The use of coherent x-ray reflectivity to image interfaces is illustrated using model calculations for three cases: a thin film, a semi-infinite substrate, and a coherently strained epitaxial thin film. The intensities and phases of the coherent scattering signals are calculated based on a fully atomistic model (where the phases are assumed to have been recovered by a phasing algorithm). Here, we describe the characteristics of the effective density that are obtained by direct inverse Fourier transformation of the complex structure factors, using a window function to define the data range. These effective densities include significant artifacts like oscillations and negative values derived from the finite vertical momentum transfer of the window function. Two approaches are described to extract the surface topography from the effective densities for three-dimensional visualization: (i) multiplying the effective density by a phase factor and (ii) analyzing the data as a hybrid structure factor F(x, Q z ). The explicit surface sensitivity and specificity of measurements is illustrated when the film or substrate Bragg peaks are excluded. These considerations show that images of interfacial topography can be obtained using currently available experimental capabilities with parameters corresponding to epitaxial thin films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Random fields from quenched disorder in an archetype for correlated electrons: The parallel spin stripe phase of La 1.6 – x Nd 0.4 Sr x CuO 4 at the 1/8 anomaly

The parallel stripe phase is remarkable both in its own right, and in relation to the other phases with which it coexists. Its inhomogeneous nature makes such states susceptible to random fields from quenched magnetic vacancies. Here we argue this is the case by introducing low concentrations of nonmagnetic Zn impurities (0%–10%) into La 1.6–x ⁢Nd 0.4⁢ Sr x ⁢CuO 4 (Nd-LSCO) with x=0.125 in single-crystal form, well below the percolation threshold of ~41% for a two-dimensional square lattice. Elastic neutron scattering measurements on these crystals show clear magnetic quasi-Bragg peaks at all Zn dopings. While all the Zn-doped crystals display order parameters that merge into each other and the background at ~68 K, the temperature dependence of the order parameter as a function of Zn concentration is drastically different. This result is consistent with meandering charge stripes within the parallel stripe phase, which are pinned in the presence of quenched magnetic vacancies. In turn it implies vacancies that preferentially occupy sites within the charge stripes, and hence that can be very effective at disrupting superconductivity in Nd-LSCO (x=0.125), and, by extension, in all systems exhibiting parallel stripes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Antiferromagnetic order in the layered magnetic topological insulator MnBi 2 ⁢Se 4 probed by resonant soft x-ray scattering

The quasi-two-dimensional magnetic topological insulator MnBi 2 Se 4 , stabilized via nonequilibrium molecular beam epitaxy, is investigated by resonant soft x-ray scattering. Kiessig fringes are observed, confirming a high sample quality and a thin film thickness of 10 septuple layers (∼13 nm). An antiferromagnetic Bragg peak is observed at the structurally forbidden reflection, whose magnetic nature is validated by studying its temperature, energy, and polarization dependence. Through a detailed analysis, an A-type antiferromagetic order with in-plane moments is implied. This alternative spin structure in MnBi 2 Se 4 , in contrast to the Ising antiferromagnetic states in other magnetic topological insulators, might be relevant for hosting new topological states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Single-crystal growth and characterization of antiferromagnetically ordered EuIn 2

Here, we report the single crystal growth and characterization of EuIn 2 , a magnetic topological semimetal candidate according to our density functional theory (DFT) calculations. We present results from electrical resistance, magnetization, Mössbauer spectroscopy, and X-ray resonant magnetic scattering (XRMS) measurements. We observe three magnetic transitions at T N1 ~ 14.2 K, T N2 ~ 12.8 K and T N3 ~ 11 K, signatures of which are consistently seen in anisotropic temperature dependent magnetic susceptibility and electrical resistance data. Mössbauer spectroscopy measurements on ground crystals suggest an incommensurate sinusoidally modulated magnetic structure below the transition at T N1 ~ 14 K, followed by the appearance of higher harmonics in the modulation on further cooling roughly below T N2 ~ 13 K, before the moment distribution squaring up below the lowest transition around T N3 ~ 11 K. XRMS measurements showed the appearance of magnetic Bragg peaks below T N1 ~ 14 K, with a propagation vector of $τ$ = ($τ_h$, $\overline{τ}_h$, 0), with $τ_h$ varying with temperature, and showing a jump at T N3 ~ 11 K. The temperature dependence of $τ_h$ between ~ 11 K and 14 K shows incommensurate values consistent with the Mössbauer data. XRMS data indicate that $τ_h$ remains incommensurate at low temperatures and locks into $τ_h$ = 0.3443(1).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spinon continuum in the Heisenberg quantum chain compound Sr 2 ⁢V 3 ⁢O 9

Magnetic excitations in the spin chain candidate Sr 2 ⁢V 3 ⁢O 9 have been investigated by inelastic neutron scattering on a single crystal sample. A spinon continuum with a bandwidth of ~22 meV is observed along the chain formed by alternating magnetic V 4+ and nonmagnetic V 5+ ions, which reveals the importance of the orbital degree of freedom in determining the chain axis as identified by prior electronic structure calculations. Incipient magnetic Bragg peaks due to weak ferromagnetic interchain couplings emerge when approaching the magnetic transition at T N ~ 5.3 K, while the excitations remain gapless within the instrumental resolution. Comparisons to the Bethe ansatz, density matrix renormalization group calculations, and effective field theories confirm Sr 2 ⁢V 3 ⁢O 9 as a host of weakly coupled S = 1/2 chains dominated by antiferromagnetic intrachain interactions of ~7.1(1) meV.

1-dimensional spin chains↗

Charge density waves and pinning by lattice anisotropy in 214 cuprates

The detection of static charge density waves (CDWs) in La 2-x ⁢Sr x ⁢CuO 4 (LSCO) with x ~ 0.12 at relatively high temperatures has raised the question of what lattice feature pins the CDWs. Some recent structural studies have concluded that some form of monoclinic distortion, indicated by the appearance of certain weak Bragg peaks (type M peaks) at otherwise forbidden positions, are responsible for CDW pinning. Here, as a test of this idea, we present neutron diffraction results for a single crystal of La 2-x ⁢Ba x CuO 4 (LBCO) with x = 1/8, which is known to undergo two structural transitions on cooling, from high-temperature tetragonal (HTT) to low-temperature orthorhombic (LTO) near 240 K, involving a collective tilt pattern of the corner-sharing CuO 6 octahedra, and from LTO to low-temperature tetragonal (LTT) near 56 K, involving a new tilt pattern and the appearance of intensity at peaks of type T. We observe both type M and type T peaks in the LTT phase, while the type M peaks (but not type T) are still present in the LTO phase. Given that CDW order is observed only in the LTT phase of LBCO, it is apparent that the in-plane Cu-O bond anisotropy associated with the octahedral tilt pattern is responsible for charge pinning. We point out that evidence for a similar, but weaker, bond anisotropy has been observed previously in LSCO and should be responsible for CDW pinning there. In the case of LBCO, the monoclinic distortion may help to explain previously reported magneto-optical evidence for gyrotropic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Giant Doping Response of Magnetic Anisotropy in MnTe

Developing simple ways to control spin states in spintronic devices is a crucial step towards increasing their functionality. MnTe is a room-temperature antiferromagnet with promising spintronic properties, including for thermospintronics and magnon-based devices. Here, we show that, in MnTe, less than 1% Li is sufficient to produce a dramatic spin reorientation as observed by neutron diffraction. The behavior of the 0001 magnetic Bragg peak reveals a significant reorientation of the Mn spins from planar in the pure material to almost completely axial with minimal Li doping. Temperature dependence of the magnetic peaks in Li-doped samples indicates that axial spins shift back to planar suddenly upon approaching the Néel temperature (T N = 307 K). Density functional theory calculations support the idea that a shift in the Fermi level caused by doping is responsible for switching the material between two competing magnetic ground states. These results pave the way for developing easy switching of magnetic states in functional materials such as spintronic devices and topological insulators.

36 MATERIALS SCIENCE↗

Photoinduced structural recovery dynamics of rare-earth nickelate thin films

Photoinduced structural dynamics of rare-earth nickelate thin films, NdNiO 3 and SmNiO 3 , grown on (001) oriented SrTiO 3 were studied using time-resolved x-ray diffraction. The evolution of the (002) Bragg peak was tracked following laser excitation. The recovery pathways were found to be strongly dependent on laser fluence for NdNiO 3 and distinct for the two rare-earth nickelates. The recovery of the (002) peak shifts was modeled using a one-dimensional thermal diffusion model which showed that the recovery processes are non-thermal at high fluences. For NdNiO 3 , the timescales for the recovery of the (002) peak shift were found to be closely related to Ni magnetism recovery, potentially indicating magneto-structural coupling. Moreover, the evolution of integrated intensity and full-width-half-maximum points towards the presence of a structural phase separation during recovery. In conclusion, our studies highlight structural recovery pathways in nickelates by comparing the distinct responses of the photoinduced metal-insulator transition in NdNiO 3 and SmNiO 3 .

36 MATERIALS SCIENCE↗

Spontaneous Chirality Flipping in an Orthogonal Spin-Charge Ordered Topological Magnet

The asymmetric distribution of chiral objects with opposite chirality is of great fundamental interest ranging from molecular biology to particle physics. In quantum materials, chiral states can build on inversion-symmetry-breaking lattice structures or emerge from spontaneous magnetic ordering induced by competing interactions. Although the handedness of a chiral state can be changed through external fields, a spontaneous chirality flipping has yet to be discovered. We present experimental evidence of chirality flipping via changing temperature in a topological magnet EuAl 4 , which features orthogonal spin density waves (SDW) and charge density waves (CDW). Using circular dichroism of Bragg peaks in the resonant magnetic x-ray scattering, we find that the chirality of the helical SDW flips through a first-order phase transition with modified SDW wavelength. Intriguingly, we observe that the CDW couples strongly with the SDW and displays a rare commensurate-to-incommensurate transition at the chirality flipping temperature. Combining with first-principles calculations and angle-resolved photoemission spectroscopy, our results support a Fermi surface origin of the helical SDW with intertwined spin, charge, and lattice degrees of freedom in EuAl 4 . Our results reveal an unprecedented spontaneous chirality flipping and lay the groundwork for a new functional manipulation of chirality through momentum-dependent spin-charge-lattice interactions. Published by the American Physical Society 2024

3-dimensional systems↗