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DOE OSTI2024

Atomic-scale visualization of a cascade of magnetic orders in the layered antiferromagnet GdTe3

Abstract GdTe 3 is a layered antiferromagnet which has attracted attention due to its exceptionally high mobility, distinctive unidirectional incommensurate charge density wave (CDW), superconductivity under pressure, and a cascade of magnetic transitions between 7 and 12 K, with as yet unknown order parameters. Here, we use spin-polarized scanning tunneling microscopy to directly image the charge and magnetic orders in GdTe 3 . Below 7 K, we find a striped antiferromagnetic phase with twice the periodicity of the Gd lattice and perpendicular to the CDW. As we heat the sample, we discover a spin density wave with the same periodicity as the CDW between 7 and 12 K; the viability of this phase is supported by our Landau free energy model. Our work reveals the order parameters of the magnetic phases in GdTe 3 and shows how the interplay between charge and spin can generate a cascade of magnetic orders.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Effects of Accretion Disks on Spins and Eccentricities of Binaries, and Implications for Gravitational Waves

Effects of accretion disks on spins and eccentricities of binaries, and implications for gravitational waves. John Baker Space-based gravitational wave observations will allow exquisitely precise measurements of massive black hole binary properties. Through several recently suggested processes, these properties may depend on interactions with accretion disks through the merger process. I will discuss ways that accretion may influence those binary properties which may be probed by gravitational-wave observations.

Baker, John↗

DOE OSTI2021

Competing magnetic states in multiferroic BaYFeO 4 : A high magnetic field study

Spin-driven ferroelectricity phenomena have drawn great interest in the scientific community due to potential application in spintronics and their complex physical mechanisms. A noticeable example of this is multiferroic BaYFeO 4 that exhibits an unconventional magnetoelectric (ME) coupling due to the uncorrelated behavior of the ferroelectric and cycloidal states under an applied magnetic field. To shed more light on this spin-driven ME effect, a high-quality sample of BaYFeO 4 was synthesized by a standard solid-state reaction method, and its high-field (up to 9 T) magnetic properties have been systematically investigated by means of magnetometry, magnetocaloric effect, and Mössbauer measurements over a wide temperature range (5–400 K). In addition, its crystal and magnetic structures have been studied using x-ray and neutron powder diffraction. Results obtained in this work indicate that Fe spins form a long-range spin density wave (SDW) antiferromagnetic (AFM) order at $T_{\text{N1}}$ ~ 50K, which transforms into the cycloidal AFM order at $T_{\text{N2}}$ ~ 35K. A spin-glass-like state emerges below $T^\ast$ ~ 17K, and coexists with the long-range cycloidal AFM one in this temperature range. Magnetocaloric and Mössbauer measurements consistently confirm the robustness of both the long-range SDWand cycloidal AFM orders under applied magnetic fields up to 6 T, whereas the spin-glass state is converted into the ferromagnetic (FM) state when the applied magnetic field exceeds 1 T. These findings pinpoint the fact that the magnetic field evolution of spin correlations from the AFM to FM character in the spin-glass state is responsible for the magnetic field dependence of ferroelectricity in BaYFeO 4 .

36 MATERIALS SCIENCE↗

DOE OSTI2022

The cosine-sine decomposition with different-orbitals-for-different-spins determinants

We report the spin decomposition of a spin-contaminated different-orbitals-for-different-spins (DODS) wave function is formulated in terms of the Krylov space of the $\hat{S}^2$ ||operator. The number of determinants that contribute to the various projected spin eigenfunctions vertical | $\psi ; S, M \rangle$ depends on the sparsity of the orbital overlap matrix X between the α and β spatial orbitals. The cosine-sine decomposition (CSD) procedure may be applied to this overlap matrix, and the resulting redundant orbital transformations may be applied to the α and β spatial orbitals. This produces a sparse X' matrix in the transformed basis in which each row or column has either one or two nonzero elements. This sparse X' matrix simplifies the spin-decomposition procedure in three ways:1) it reduces the number of contributing determinants within the Krylov basis functions and within the projected spin functions, 2) it reduces the effective orbital dimension through elimination of the frozen core and frozen virtual orbitals, and 3) it simplifies the spin-decomposition procedure in both the original and transformed bases by limiting the Krylov space dimension. These simplifications all reduce the computational effort for the spin-decomposition process. This procedure is implemented within a string-based DODS determinant formulation and applied to spin projection of unrestricted Hartree-Fock determinants.

unrestricted Hartree-Fock↗

DOE OSTI2023

Fluctuating intertwined stripes in the strange metal regime of the Hubbard model

Strongly correlated electron systems host a variety of poorly understood correlations in their high-temperature normal state. Unlike ordered phases defined by order parameters, regions of the normal state are often defined through unconventional properties such as strange metallic transport or spectroscopic pseudogaps. Characterizing the microscopic correlations in the normal state is necessary to elucidate mechanisms that lead to these properties and their connection to ground-state orders. Here, in this paper, we establish the presence of intertwined charge and spin stripes in the strange metal normal state of the Hubbard model using determinant quantum Monte Carlo calculations. The charge and spin density waves constituting the stripes are fluctuating and short ranged; yet they obey a mutual commensurability relation and remain microscopically interlocked, as evidenced through measurements of three-point spin-spin-hole correlation functions. Our findings demonstrate the ability of many-body numerical simulations to unravel the microscopic correlations that define quantum states of matter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Addendum: A note on spin two fields in curved backgrounds (2007 Class. Quantum Grav. 24 1683)

Abstract Some time ago, we showed that a weak (linear) massless spin two wave could only propagate on a Ricci-flat or Ricci-constant background: it must necessarily be a perturbation of general relativity. This was just the continuation of the higher spin chain: massless s = 3/2 also required Ricci-flatness (which is the basis of supergravity) while s > 2 needs Riemann flatness. This note, entitled ‘higher spin m ≠ 0 excitations on curved backgrounds and cosmological supergravity’, re-analyzes the problem in a perhaps more physical way: by considering massless and—only apparently—massive small excitations and showing how their parameters relate to the cosmological constant. We will thus prove, in a simple physical way, the necessity, as well as the sufficiency, of the known supergravity results.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1977

Gravitational scattering of zero-rest-mass plane waves

The Feyman-diagram technique is used to calculate the differential cross sections for the scattering of zero-rest-mass plane waves of spin 0, 1, and 2 by linearized Schwarzschild and Kerr geometries in the long-wavelength weak-field limit. It is found that the polarization of right (or left) circularly polarized electromagnetic waves is unaffected by the scattering process (i.e., helicity is conserved) and that the two helicity (polarization) states of the photon are scattered differently by the Kerr geometry. This coupling between the photon helicity and the angular momentum of the scatterer also leads to a partial polarization of unpolarized incident light. For gravitational waves, on the other hand, there is neither helicity conservation nor helicity-dependent scattering; the angular momentum of the scatterer has no polarizing effect on incident unpolarized gravitational waves.

De Logi, W. K.↗

DOE OSTI2022

Phonon-assisted formation of an itinerant electronic density wave

Abstract Electronic instabilities drive ordering transitions in condensed matter. Despite many advances in the microscopic understanding of the ordered states, a more nuanced and profound question often remains unanswered: how do the collective excitations influence the electronic order formation? Here, we experimentally show that a phonon affects the spin density wave (SDW) formation after an SDW-quench by femtosecond laser pulses. In a thin film, the temperature-dependent SDW period is quantized, allowing us to track the out-of-equilibrium formation path of the SDW precisely. By exploiting its persistent coupling to the lattice, we probe the SDW through the transient lattice distortion, measured by femtosecond X-ray diffraction. We find that within 500 femtoseconds after a complete quench, the SDW forms with the low-temperature period, directly bypassing a thermal state with the high-temperature period. We argue that a wavevector-matched phonon launched by the quench changes the formation path of the SDW through the dynamic pinning of the order parameter.

42 ENGINEERING↗

DOE OSTI2022

One-dimensional Rashba states with unconventional spin texture in Bi chains

Spin-polarized electrons confined in low-dimensional structures are of high interest for spintronics applications. Here, in this study, we investigate the electronic structure of an ordered array of Bi monomer and dimer chains on the Ag(110) surface. By means of spin-resolved photoemission spectroscopy, we find Rashba-Bychkov split bands crossing the Fermi level with one-dimensional constant energy contours. These bands are up-spin polarized for positive wave vectors and down-spin polarized for negative wave vectors, at variance with the Rashba-Bychkov model that predicts a pair of states with opposite spin in each half of the surface Brillouin zone. Density functional theory shows that spin-selective hybridization with the Ag bulk bands originates this unconventional spin texture.

1-dimensional spin chains↗

DOE OSTI2021

Strong-field ionization of the triplet ground state of O 2

Using strong-field ionization as a probe, we observe highly nonperiodic evolution of the spin-rotation wave packet launched by a nonionizing femtosecond pulse in oxygen. The nonperiodicity is readily apparent only in rotationally cold molecules that are pumped with a weak alignment pulse. We show that this behavior is a consequence of the spin-rotation and the spin-spin couplings in the triplet ground state of the neutral molecule. A model that includes these couplings in the field-free Hamiltonian but in neither the alignment nor the ionization step explains most of the observed dynamics, suggesting that neither process depends explicitly on the electronic spin. We also show that the angle dependence of strong-field ionization can be retrieved from the delay-dependent signal even when coupling to spin complicates the rotational dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Helical magnetic order and Fermi surface nesting in noncentrosymmetric ScFeGe

Here, an investigation of the structural, magnetic, thermodynamic, and charge transport properties of noncentrosymmetric hexagonal ScFeGe reveals it to be an anisotropic metal with a transition to a weak itinerant incommensurate helimagnetic state below T N =36 K. Neutron diffraction measurements discovered a temperature and field independent helical wave vector k = (0 0 0.193) with magnetic moments of 0.53 μ B per Fe confined to the ab-plane. Density functional theory calculations are consistent with these measurements and find several bands that cross the Fermi level along the c-axis with a nearly degenerate set of flat bands just above the Fermi energy. The anisotropy found in the electrical transport is reflected in the calculated Fermi surface, which consists of several warped flat sheets along the c-axis with two regions of significant nesting, one of which has a wave vector that closely matches that found in the neutron diffraction. The electronic structure calculations, along with a strong anomaly in the c-axis conductivity at TN, signal a Fermi surface driven magnetic transition, similar to that found in spin density wave materials. Magnetic fields applied in the ab-plane result in a metamagnetic transition with a threshold field of ≈ 6.7 T along with a sharp, strongly temperature dependent discontinuity and a change in sign of the magnetoresistance for in-plane currents. Thus, ScFeGe is an ideal system to investigate the effect of in-plane magnetic fields on a helimagnet with a c-axis propagation vector, where the relative strength of the magnetic interactions and anisotropies determine the topology and magnetic structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

AI and extreme scale computing to learn and infer the physics of higher order gravitational wave modes of quasi-circular, spinning, non-precessing black hole mergers

We use artificial intelligence (AI) to learn and infer the physics of higher order gravitational wave modes of quasi-circular, spinning, non precessing binary black hole mergers. We trained AI models using 14 million waveforms, produced with the surrogate model NRHybSur3dq8, that include modes up to $\ell$ ≤ 4 and (5,5), except for (4,0) and (4,1), that describe binaries with mass-ratios $\textit{q}$ ≤ 8, individual spins $s^z_{\{1,2\}} \in$[–0.8,0.8], and inclination angle $θ \in$ [0,π]. Our probabilistic AI surrogates can accurately constrain the mass-ratio, individual spins, effective spin, and inclination angle of numerical relativity waveforms that describe such signal manifold. We compared the predictions of our AI models with Gaussian process regression, random forest, k-nearest neighbors, and linear regression, and with traditional Bayesian inference methods through the PyCBC Inference toolkit, finding that AI outperforms all these approaches in terms of accuracy, and are between three to four orders of magnitude faster than traditional Bayesian inference methods. Our AI surrogates were trained within 3.4 hours using distributed training on 1,536 NVIDIA V100 GPUs in the Summit supercomputer.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Confinement of many-body Bethe strings

Based on the Bethe ansatz approach and inelastic neutron scattering experiments, we reveal the evolution of confinement of many-body Bethe strings in ordered regions of the quasi-one-dimensional antiferromagnet YbAlO 3 . In the antiferromagnetic phase, the spin dynamics is dominated by confined length-1 Bethe strings, whose dominancy in the high-energy branch of the excitation spectrum yields to confined length-2 Bethe strings when the material is tuned to the spin-density-wave phase. In the thermal-induced disordered region, the confinement effect disappears, and the system restores the conventional quantum integrable physics of the one-dimensional Heisenberg model. Finally, our results establish a unified picture based on a Bethe string for the spin dynamics in different magnetic phases of YbAlO 3 , and thus provide profound insight into many-body quantum magnetism.

1-dimensional spin chains↗

DOE OSTI2023

Gauge-invariant measure of the magnon orbital angular momentum

Unlike the Berry phase, the orbital angular momentum (OAM) of magnons with two-dimensional wave vector k in band n is not gauge invariant for arbitrary phase λ n (k) and so is not physically observable. However, by integrating the OAM over the orientation φ of wave vector k, we construct a gauge-invariant function F n (k). Like F n (k), the average OAM for magnon band n in a circle of radius k is also gauge invariant and can be directly observed. We demonstrate these results for a ferromagnet on a honeycomb lattice with Dzyalloshinskii-Moriya interactions between next-nearest neighbor spins. With wave vectors k restricted to the first Brillouin zone, the angular averaged OAM F n (k) then has opposite signs for lower and upper bands n=1 and 2 for all k.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Floquet Cavity Electromagnonics

Hybrid magnonics has recently attracted intensive attention as a promising platform for coherent information processing. In spite of its rapid development, on-demand control over the interaction of magnons with other information carriers, in particular, microwave photons in electromagnonic systems, has been long missing, significantly limiting the potential broad applications of hybrid magnonics. Here, we show that, by introducing Floquet engineering into cavity electromagnonics, coherent control on the magnon-microwave photon coupling can be realized. Leveraging the periodic temporal modulation from a Floquet drive, our first-of-its-kind Floquet cavity electromagnonic system enables the manipulation of the interaction between hybridized cavity electromagnonic modes. Moreover, we have achieved a new coupling regime in such systems: the Floquet ultrastrong coupling, where the Floquet splitting is comparable with or even larger than the level spacing of the two interacting modes, beyond the conventional rotating-wave picture. As a result, our findings open up new directions for magnon-based coherent signal processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Deployment of POLARBEAR-2b

POLARBEAR-2b (PB-2b) is the second receiver in the Simons Array, a cosmic microwave background (CMB) polarization experiment. The Simons Array uses dichroic polarization sensitive lenslet-coupled sinuous antennas and transition-edge sensor (TES) bolometers made of superconducting films. These bolometers are read out with frequency multiplexing electronics. PB-2b contains ~7500 detectors in two bands at 90 and 150 GHz with arcminute resolution. The polarization of these detectors is modulated by a cryogenic continuously rotating half-wave plate. PB-2b was installed on its telescope in 2022 in the Atacama Desert at an altitude of 5.2 km. This paper will detail initial readout commissioning, test of a new loopgain monitoring method, and focusing the optics. Work is ongoing to commission the remaining ambient temperature readout electronics, measure detector time constants, and observe with the cryogenic half-wave plate spinning.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Multiple magnetic orders in LaFeAs 1-x P x O uncover universality of iron-pnictide superconductors

The iron-pnictide superconductors have generated tremendous excitement as the competition between magnetism and superconductivity has allowed unique in-roads towards elucidating a microscopic theory of unconventional high-temperature superconductivity. In addition to the stripe spin density wave ($C^a_{2M}$) phase observed in the parent compounds of all iron-pnictide superconductors, two novel magnetic orders have recently been discovered in different parent structures: an out-of-plane collinear double-Q ($C^c_{4M}$) structure in the hole-doped (Ca, Sr, Ba) 1-x (Na) x Fe 2 As 2 and Ba 1-x K x Fe 2 As 2 families, and a spin vortex crystal “hedgehog” ($C^{ab}_{4M}$) structure in the CaKFe 4 As 4 family. Using neutron diffraction, we demonstrate that LaFeAs 1-x P x O contains all three magnetic orders within a single-phase diagram as a function of substitution, all of which compete strongly with superconductivity. Our experimental observations combined with theoretical modeling demonstrate how the reduction in electronic correlations by chemical substitution results in larger Fermi surfaces and the sequential stabilization of multiple magnetic anisotropies. Our work presents a unified narrative for the competing magnetic and superconducting phases observed in various iron-pnictide systems with different crystal structures and chemistry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

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↗