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At least 145 records · Page 8

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DOE OSTI2020

Controlling magnetic order, magnetic anisotropy, and band topology in the semimetals Sr(Mn 0.9 Cu 0.1 )Sb 2 and Sr(Mn 0.9 Zn 0.1 )Sb 2

Neutron diffraction and magnetic susceptibility studies show that orthorhombic single-crystals of topological semimetals Sr(Mn 0.9 Cu 0.1 ) Sb 2 and Sr(Mn 0.9 Zn 0.1 )Sb 2 undergo three-dimensional C-type antiferromagnetic (AFM) ordering of the Mn 2+ moments at T N = 200 ± 10 and 210 ± 12 K, respectively, significantly lower than that of the parent SrMnSb 2 with T N = 297 ± 3 K. Magnetization versus applied magnetic field (perpendicular to MnSb planes) below T N exhibits slightly modified de Haas van Alphen oscillations for the Zn-doped crystal as compared to that of the parent compound. By contrast, the Cu-doped system does not show de Haas van Alphen magnetic oscillations, suggesting that either Cu substitution for Mn changes the electronic structure of the parent compound substantially, or that the Cu sites are strong scatterers of carriers that significantly shorten their mean free path thus diminishing the oscillations. Density functional theory (DFT) calculations including spin-orbit coupling predict the C-type AFM state for the parent, Cu-, and Zn-doped systems and identify the a -axis (i.e., perpendicular to the Mn layer) as the easy magnetization direction in the parent and 12.5% of Cu or Zn substitutions. In contrast, 25% of Cu content changes the easy magnetization to the b-axis (i.e., within the Mn layer). Here, we find that the incorporation of Cu and Zn in SrMnSb 2 tunes electronic bands near the Fermi level resulting in different band topology and semimetallicity. The parent and Zn-doped systems have coexistence of electron and hole pockets with opened Dirac cone around the Y-point whereas the Cu-doped system has dominant hole pockets around the Fermi level with a distorted Dirac cone. The tunable electronic structure may point out possibilities of rationalizing the experimentally observed de Haas van Alphen magnetic oscillations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

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

Magnetic order and spin liquid behavior in [Mo 3 ] 11+ molecular magnets

Molecular magnets based on [Mo 3 ] 11+ units with one unpaired electron per trimer have attracted recent interest due to the identification of quantum spin liquid candidacy in some family members. Here, we present comprehensive measurements on polycrystalline samples of ZnScMo 3 O 8 , MgScMo 3 O 8 , and Na 3 Sc 2 Mo 5 O 16 with the same Mo 3 O 13 magnetic building blocks. In this work, the crystal structures are characterized with x-ray or neutron powder diffraction and the magnetic ground states are determined by performing ac and dc susceptibility, specific heat, neutron powder diffraction, and muon spin relaxation measurements. Our work indicates that ZnScMo 3 O 8 and MgScMo 3 O 8 have ferromagnetic Curie-Weiss temperatures of 18.5 and 11.9 K, ordered ground states with net moments (low-moment ferromagnetism or canted antiferromagnetism), and zero field ordering temperatures of $T_c$ = 6 K and $T_c$ < 2 K, respectively. On the other hand, Na 3 Sc 2 Mo 5 O 16 hosts a dynamical magnetic ground state with no evidence for magnetic ordering or spin freezing down to 20 mK despite an antiferromagnetic Curie-Weiss temperature of –36.2 K, and therefore is a candidate for quantum spin liquid behavior. By comparing the present results to past work on the same family of materials, we construct a phase diagram which illustrates that the magnetic ground states of these Mo-based molecular magnets are very sensitive to small changes in the nearest-neighbor Mo-Mo distance.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Magnetic design of the commutational magnet and quadrupoles for PERLE accelerator

PERLE (Powerful Energy Recovery LINAC for Experiment) is a high-power Energy Recovery LINAC (ERL) facility with 20 mA beam current and beam energy from 250 MeV to 500 MeV featuring three passes through two cryomodules. It is a hub for validation of the ERL technology development towards future energy and intensity frontier machines. Design challenges of PERLE and its beam parameters make it a test-bed to validate multi-turn high current ERL operation for the LHeC. It will be the first ERL for some pioneering experiment of the eN interaction with radioactive nuclei. In this work, design and optimization of the commutational magnet (B-com) used to spread/combine the three beams and one series of the quadrupole magnet is discussed. It gives the design parameters including: yoke geometry, pole profile, and material, and calculation of the excitation current needed to drive the magnet, the coil parameters and the number of turns. The B-com magnet is optimized for a 30° bending angle with magnetic field of 0.88 T along the magnet length and a harmonic content of 0.036%. The quadrupole magnet is designed for a gradient field of 34.15 T/m and experiences saturation above this value. Further studies to avoid saturation and achieve the maximum gradient of 44.1 T/m required by the beam dynamics is undergoing.

Abukeshek, R.↗

DOE OSTI2023

Emergent orbital magnetization in Kitaev quantum magnets

Unambiguous identification of the Kitaev quantum spin liquid (QSL) in materials remains a huge challenge despite many encouraging signs from various measurements. To facilitate the experimental detection of the Kiteav QSL, here we propose to use remnant charge response in Mott insulators hosting QSL to identify the key signatures of QSL. We predict an emergent orbital magnetization in a Kitaev system in an external magnetic field. The direction of the orbital magnetization can be flipped by rotating the external magnetic field in the honeycomb plane. The orbital magnetization is demonstrated explicitly through a detailed microscopic analysis of the multiorbital Hubbard-Kanamori Hamiltonian and also supported by a phenomenological picture. We first derive the localized electrical loop current operator in terms of the spin degrees of freedom. Thereafter, utilizing the Majorana representation, we estimate the loop currents in the ground state of the chiral Kitaev QSL state, and obtain the consequent current textures, which are responsible for the emergent orbital magnetization. Finally, we discuss the possible experimental techniques to visualize the orbital magnetization which can be considered as the signatures of the underlying excitations.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Magnetic Energy Release, Plasma Dynamics, and Particle Acceleration in Relativistic Turbulent Magnetic Reconnection

In strongly magnetized astrophysical plasma systems, magnetic reconnection is believed to be the primary process during which explosive energy release and particle acceleration occur, leading to significant high-energy emission. Past years have witnessed active development of kinetic modeling of relativistic magnetic reconnection, supporting this magnetically dominated scenario. A much less explored issue in studies of relativistic reconnection is the consequence of three-dimensional dynamics, where turbulent structures are naturally generated as various types of instabilities develop. This paper presents a series of three-dimensional, fully kinetic simulations of relativistic turbulent magnetic reconnection (RTMR) in positron–electron plasmas with system domains much larger than kinetic scales. Our simulations start from a force-free current sheet with several different modes of long-wavelength magnetic field perturbations, which drive additional turbulence in the reconnection region. Because of this, the current layer breaks up and the reconnection region quickly evolves into a turbulent layer filled with coherent structures such as flux ropes and current sheets. Additionally, we find that plasma dynamics in RTMR is vastly different from its 2D counterpart in many aspects. The flux ropes evolve rapidly after their generation, and can be completely disrupted by the secondary kink instability. This turbulent evolution leads to superdiffusive behavior of magnetic field lines as seen in MHD studies of turbulent reconnection. Meanwhile, nonthermal particle acceleration and the timescale for energy release can be very fast and do not depend strongly on the turbulence amplitude. Additionally, the main acceleration mechanism is a Fermi-like acceleration process supported by the motional electric field, whereas the nonideal electric field acceleration plays a subdominant role. We also discuss possible observational implications of three-dimensional RTMR in high-energy astrophysics.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Sub-Alfvénic Turbulence: Magnetic-to-kinetic Energy Ratio, Modification of Weak Cascade, and Implications for Magnetic Field Strength Measurements

Abstract We study the properties of sub-Alfvénic magnetohydrodynamic (MHD) turbulence, i.e., turbulence with Alfvén mach number M A = V L / V A < 1, where V L is the velocity at the injection scale and V A is the Alfvén velocity. We demonstrate that MHD turbulence can have different properties, depending on whether it is driven by velocity or magnetic fluctuations. If the turbulence is driven by isotropic bulk forces acting upon the fluid, i.e., is velocity driven, in an incompressible conducting fluid we predict that the kinetic energy is M A − 2 times larger than the energy of magnetic fluctuations. This effect arises from the long parallel wavelength tail of the forcing, which excites modes with k ∥ / k ⊥ < M A . We also predict that as the MHD turbulent cascade reaches the strong regime, the energy of slow modes exceeds the energy of Alfvén modes by a factor M A − 1 . These effects are absent if the turbulence is driven through magnetic fluctuations at the injection scale. We confirm our predictions with numerical simulations. Since the assumption of magnetic and kinetic energy equipartition is at the core of the Davis–Chandrasekhar–Fermi (DCF) approach to measuring magnetic field strength in sub-Alfvénic turbulence, we conclude that the DCF technique is not universally applicable. In particular, we suggest that the dynamical excitation of long azimuthal wavelength modes in the galactic disk may compromise the use of the DCF technique. We discuss alternative expressions that can be used to obtain magnetic field strength from observations and consider ways of distinguishing the cases of velocity and magnetically driven turbulence using observational data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Magnetic design of the commutational magnet and quadrupoles for PERLE accelerator

Abukeshek, R.↗

DOE OSTI2024

Fabrication method for a component having magnetic and non-magnetic dual phases

Methods for forming a dual-phase magnetic component from an initial component comprising a non-magnetic austenite composition are provided. The method may include: forming a coating on a portion of the surface of the initial component to form a masked area while leaving an unmasked area thereon. Thereafter the initial component may be heated to a treatment temperature such that nitrogen diffuses out of the unmasked area of the initial component to transform the non-magnetic austenite composition to a magnetic phase in the unmasked area. Thereafter, the initial component may be cooled from the treatment temperature to form a dual-phase magnetic component having a magnetic region corresponding to the unmasked area and a non-magnetic region corresponding to the masked area.

Huang, Shenyan↗

DOE OSTI2023

Role of Magnetic Defects in Tuning Ground States of Magnetic Topological Insulators

Abstract Magnetic defects play an important, but poorly understood, role in magnetic topological insulators (TIs). For example, topological surface transport and bulk magnetic properties are controlled by magnetic defects in Bi 2 Se 3 ‐based dilute ferromagnetic (FM) TIs and MnBi 2 Te 4 (MBT)‐based antiferromagnetic (AFM) TIs. Despite its nascent ferromagnetism, the inelastic neutron scattering data show that a fraction of the Mn defects in Sb 2 Te 3 form strong AFM dimer singlets within a quintuple block. The AFM superexchange coupling occurs via Mn–Te–Mn linear bonds and is identical to the AFM coupling between antisite defects and the FM Mn layer in MBT, establishing common interactions in the two materials classes. It is also found that the FM correlations in (Sb 1− x Mn x ) 2 Te 3 are likely driven by magnetic defects in adjacent quintuple blocks across the van der Waals gap. In addition to providing answers to long‐standing questions about the evolution of FM order in dilute TI, these results also show that the evolution of global magnetic order from AFM to FM in Sb‐substituted MBT is controlled by defect engineering of the intrablock and interblock coupling.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Unconventional pressure-induced magnetic transitions and mechanical properties in non-magnetic LaFeSi

Here, this work demonstrates that two consecutive magnetic transitions occur in non-magnetic LaFeSi compound under negative hydrostatic pressure (small volume expansion). Electronic structure properties of LaFeSi were calculated using density functional theory (DFT) to understand the origin of these magnetic transitions. Mechanical properties of LaFeSi, especially elastic properties (shear and Young’s modulus, and Poisson’s ratio), were determined by DFT distortion calculations to elucidate lattice anisotropy and stability. The antiferromagnetic transition at –7.52 GPa, predicted in our work for LaFeSi, is consistent with the reported experimentally observed antiferromagnetic ground states in CeMnSi and LaMnSi compounds having similar crystal geometry. This finding of unexpected magnetic ordering predicts that layered non-magnetic materials, like LaFeSi, may become magnetically active with lattice expansion.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Layer-Dependent Magnetism and Spin Fluctuations in Atomically Thin van der Waals Magnet CrPS 4

van der Waals (vdW) magnets, an emerging family of two-dimensional (2D) materials, have received tremendous attention due to their rich fundamental physics and significant potential for cutting-edge technological applications. In contrast to the conventional bulk counterparts, vdW magnets exhibit significant tunability of local material properties, such as stacking engineered interlayer coupling and layer-number dependent magnetic and electronic interactions, which promise to deliver previously unavailable merits to develop multifunctional microelectronic devices. As a further ingredient of this emerging topic, here we report nanoscale quantum sensing and imaging of atomically thin vdW magnet chromium thiophosphate CrPS 4 , revealing its characteristic layer-dependent 2D static magnetism and dynamic spin fluctuations. We also show a large tunneling magnetoresistance in CrPS 4 -based spin filter vdW heterostructures. Here, the excellent material stability, robust strategy against environmental degradation, in combination with tailored magnetic properties highlight the potential of CrPS 4 in developing state-of-the-art 2D spintronic devices for next-generation information technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Raman Shifts in Two-Dimensional van der Waals Magnets Reveal Magnetic Texture Evolution

Two-dimensional (2D) van der Waals magnets comprise rich physics that can be exploited for spintronic applications. We investigate the interplay between spin-phonon coupling and spin textures in a 2D van der Waals magnet by combining magneto-Raman spectroscopy with cryogenic Lorentz transmission electron microscopy. Here we find that when stable skyrmion bubbles are formed in the 2D magnet, a field-dependent Raman shift can be observed, and this shift is absent for the 2D magnet prepared in its ferromagnetic state. Correlating these observations with numerical simulations that take into account field-dependent magnetic textures and spin--phonon coupling in the 2D magnet, we associate the Raman shift to field-induced modulations of the skyrmion bubbles and derive the existence of inhomogeneity in the skyrmion textures over the film thickness.

2D van der Waals magnet↗

DOE OSTI2020

Proximity Spin–Orbit Torque on a Two-Dimensional Magnet within van der Waals Heterostructure: Current-Driven Antiferromagnet-to-Ferromagnet Reversible Nonequilibrium Phase Transition in Bilayer CrI 3

The recently discovered two-dimensional magnetic insulator CrI 3 is an intriguing case for basic research and spintronic applications since it is a ferromagnet in the bulk but an antiferromagnet in bilayer form, with its magnetic ordering amenable to external manipulations. Using the first-principles quantum transport approach, we predict that injecting unpolarized charge current parallel to the interface of the bilayer-CrI 3 /monolayer-TaSe 2 van der Waals (vdW) heterostructure will induce spin–orbit torque and thereby drive the dynamics of magnetization on the first monolayer of CrI 3 in direct contact with TaSe 2 . By combining the calculated complex angular dependence of spin–orbit torque with the Landau-Lifshitz-Gilbert equation for classical dynamics of magnetization, we demonstrate that current pulses can switch the direction of magnetization on the first monolayer to become parallel to that of the second monolayer, thereby converting CrI 3 from antiferromagnet to ferromagnet while not requiring any external magnetic field. We explain the mechanism of this reversible current-driven nonequilibrium phase transition by showing that first monolayer of CrI 3 carries current due to evanescent wave functions injected by metallic transition metal dichalcogenide TaSe 2 , while concurrently acquiring strong spin–orbit coupling via such a proximity effect, whereas the second monolayer of CrI 3 remains insulating. Furthermore, the transition can be detected by passing vertical read current through the vdW heterostructure, encapsulated by a bilayer of hexagonal boron nitride and sandwiched between graphite electrodes, where we find a tunneling magnetoresistance of ≃240%.

2D magnetic materials↗

DOE OSTI2022

Density Functional Theory Study of Controllable Optical Absorptions and Magneto-Optical Properties of Magnetic CrI 3 Nanoribbons: Implications for Compact 2D Magnetic Devices

A chromium triiodide (CrI 3 ) monolayer has an interesting ferromagnetic ground-state. In this work, we calculate band structures and magnetic moments of tensile-strained and bent zigzag CrI 3 nanoribbons with density functional theory. The edge iodine atoms form flat low-lying conduction bands and couple with chromium atoms ferromagnetically, while the non-edge iodine atoms weakly couple antiferromagnetically. Narrow CrI 3 nanoribbons have two locally stable magnetic moment orientations, namely out-of-plane and in-plane (along the nanoribbon periodic direction) configurations. This enables four magnetization states in CrI 3 nanoribbons, including two out-of-plane ones (up and down) and two in-plane ones (forward and backward along the nanoribbon periodical direction), increasing the operating controllability. Based on the one-dimensional Ising spin chain model, the spin correlation length of the narrow CrI 3 nanoribbon is estimated as about 10 Å at its estimated Curie temperature of 27 Kelvin, which is lower than the measured 45 Kelvin of the monolayer CrI 3 . The optical absorption and magneto-optical properties of CrI 3 nanoribbons are investigated with many-body perturbation GW-BSE (Bethe-Salpeter equation), including magnetic dichroism, Faraday and magneto-optical Kerr effects. Here, the low-energy dark excitons are mainly from transitions between electrons and holes with unlike spins and are non-Frenkel-like, while the bright excitons have mixed spin configurations. The intrinsic lifetime of excitons can be over one nanosecond, suitable for quantum information processes. Tensile strains and bending manifestly modulate the absorption spectra and magneto-optical properties of CrI 3 nanoribbons within a technologically important photon energy-range of ~1.0-2.0 eV. The CrI 3 nanoribbons can be used in 1D or 2D magnetic storage nanodevices, tunable magnetic optoelectronics, and spin-based quantum information controls.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Observation of stacking engineered magnetic phase transitions within moiré supercells of twisted van der Waals magnets

Abstract Recent demonstrations of moiré magnetism, featuring exotic phases with noncollinear spin order in the twisted van der Waals (vdW) magnet chromium triiodide CrI 3 , have highlighted the potential of twist engineering of magnetic (vdW) materials. However, the local magnetic interactions, spin dynamics, and magnetic phase transitions within and across individual moiré supercells remain elusive. Taking advantage of a scanning single-spin magnetometry platform, here we report observation of two distinct magnetic phase transitions with separate critical temperatures within a moiré supercell of small-angle twisted double trilayer CrI 3 . By measuring temperature-dependent spin fluctuations at the coexisting ferromagnetic and antiferromagnetic regions in twisted CrI 3 , we explicitly show that the Curie temperature of the ferromagnetic state is higher than the Néel temperature of the antiferromagnetic one by ~10 K. Our mean-field calculations attribute such a spatial and thermodynamic phase separation to the stacking order modulated interlayer exchange coupling at the twisted interface of moiré superlattices.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Additively Manufactured NdFeB Polyphenylene Sulfide Halbach Magnets to Generate Variable Magnetic Fields for Neutron Reflectometry

Halbach arrays are the most efficient closed structures for generating directed magnetic fields and gradients, and are widely used in various electric machines. We utilized fused deposition modeling-based Big Area Additive Manufacturing technology to print customized, compensated concentric Halbach array rings, using polyphenylene sulfide-bonded NdFeB permanent magnets for polarized neutron reflectometry. The Halbach rings could generate a 0 ≤ B ≤ 0.30 T field, while preserving 90% polarization of an axial neutron beam. Polarized neutron beams are used to study a wide range of structural and magnetic phenomena spanning physics, chemistry, and biology. In this study, we demonstrate the effectiveness of additive manufacturing for producing prototype Halbach arrays, characterize their magnetic properties, and generated magnetic fields, and discuss the conservation of neutron beam polarization as a function of magnetic field.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Recent progress in MnBi2 n Te3 n +1 intrinsic magnetic topological insulators: crystal growth, magnetism and chemical disorder

ABSTRACT The search for magnetic topological materials has been at the forefront of condensed matter research for their potential to host exotic states such as axion insulators, magnetic Weyl semimetals, Chern insulators, etc. To date, the MnBi2nTe3n+1 family is the only group of materials showcasing van der Waals-layered structures, intrinsic magnetism and non-trivial band topology without trivial bands at the Fermi level. The interplay between magnetism and band topology in this family has led to the proposal of various topological phenomena, including the quantum anomalous Hall effect, quantum spin Hall effect and quantum magnetoelectric effect. Among these, the quantum anomalous Hall effect has been experimentally observed at record-high temperatures, highlighting the unprecedented potential of this family of materials in fundamental science and technological innovation. In this paper, we provide a comprehensive review of the research progress in this intrinsic magnetic topological insulator family, with a focus on single-crystal growth, characterization of chemical disorder, manipulation of magnetism through chemical substitution and external pressure, and important questions that remain to be conclusively answered.

36 MATERIALS SCIENCE↗