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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Landau-Lifshitz-Bloch equation for ferrimagnets with higher-order interaction

In this work, we present a micromagnetic formulation for modeling the magnetization dynamics and thermal equilibrium in ferrimagnetic materials at low and elevated temperatures. The formulation is based on a mean-field approximation (MFA). In this formulation, the ferrimagnet is described micromagnetically by two coupled sublattices with corresponding interactions, including inter- and intrasublattice micromagnetic exchange as well as four-spin interactions described as an intersublattice molecular field with a cubic dependence of the magnetization. The MFA is used to derive a Landau-Lifshitz-Bloch type equation for ferrimagnetic material, including cases with a ferromagnetic-antiferromagnetic phase transitions. For validation, the results obtained via the presented model are compared with recent experimental data for phase transitions in FeRh.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Tunable chiral and nematic states in the triple-Q antiferromagnet Co 1/3 TaS 2

Complex spin configurations in magnetic materials, ranging from collinear single-Q to non-coplanar multi-Q states, exhibit rich symmetry and chiral properties. However, their detailed characterization is often hindered by the limited spatial resolution of neutron diffraction techniques. Here we employ magnetic circular dichroism and magnetic linear dichroism to investigate the triangular lattice antiferromagnet Co 1/3 TaS 2 , revealing three-state (Z 3 ) nematicity and also spin chirality across its multi-Q magnetic phases. At intermediate temperatures, the presence of linear dichroism identifies nematicity arising from a single-Q stripe phase, while at high magnetic fields and low temperatures, a phase characterized solely by circular dichroism emerges, signifying a purely chiral non-coplanar triple-Q state. Notably, at low temperatures and small fields, we discover a unique phase where both chirality and nematicity coexist. A theoretical analysis based on a continuous multi-Q manifold captures the emergence of these distinct magnetic phases, as a result of the interplay between four-spin interactions and weak magnetic anisotropy. Additionally, both circular and linear dichroism microscopy spatially resolves the chiral and nematic domains. Our findings establish Co 1/3 TaS 2 as a rare platform hosting diverse multi-Q states with distinct combinations of spin chirality and nematicity while demonstrating the effectiveness of polarized optical techniques in characterizing complex magnetic textures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Three-Magnon Bound State in the Quasi-One-Dimensional Antiferromagnet α-NaMnO 2

Here we report on the formation of a three-magnon bound state in the quasi-one-dimensional antiferromagnet α-NaMnO 2 , where the single-ion, uniaxial anisotropy inherent to the Mn 3+ ions in this material provides a binding mechanism capable of stabilizing higher order magnon bound states. While such states have long remained elusive in studies of antiferromagnetic chains, neutron scattering data presented here demonstrate that higher order n > 2 composite magnons exist, and, speci fically, that a weak three-magnon bound state is detected below the antiferromagnetic ordering transition of NaMnO 2 . We corroborate our findings with exact numerical simulations of a one-dimensional Heisenberg chain with easy-axis anisotropy using matrix-product state techniques, nding a good quantitative agreement with the experiment. Furthermore, these results establish NaMnO 2 as a unique platform for exploring the dynamics of composite magnon states inherent to a classical antiferromagnetic spin chain with Ising-like single ion anisotropy.

1-dimensional spin chains↗
DOE OSTI2025

Revealing the electronic structure of van der Waals antiferromagnetic NiPS 3 through synchrotron-based 𝜇-ARPES and alkali metal dosing

Antiferromagnetic NiPS 3 has recently emerged as a quantum material of considerable interest, thanks to the discovery of multiple new couplings involving electrons, spins, orbitals, phonons, and magnons. However, controversies and open questions persist concerning the fundamental origins of these couplings. A critical piece of information required to advance the understanding is the precise electronic band structure of NiPS 3 . Angle-resolved photoemission spectroscopy (ARPES), combined with alkali metal dosing (AMD), can enable us to directly observe the subtle electronic states that appear around the Fermi surface, offering valuable insights into the intriguing quantum properties and interplays of the examined material. Here, in this study, we present a comprehensive characterization and analysis of the band structure of van der Waals layered antiferromagnet NiPS 3 , leveraging state-of-the-art μ-ARPES measurements supported by density functional theory (DFT) calculations. Theoretical DFT results identify the orbital contributions to the observed bands, providing a precise understanding of the experimental ARPES data. Crucially, AMD enables the observation of conduction band and defect-related states above the valence band maximum in NiPS 3 . Furthermore, temperature dependent ARPES results across the Néel transition temperature of NiPS 3 reveal that the paramagnetic and antiferromagnetic phases have nearly identical band structures, underlining the highly localized character of Ni d states. These findings substantially deepen our understanding of the electronic properties of NiPS 3 and lay a vital foundation for exploring the intriguing quantum phenomena it exhibits.

Cao, Yifeng [Boston Univ., MA (United States); Law↗
DOE OSTI2024

Quantum Spin Dynamics Due to Strong Kitaev Interactions in the Triangular-Lattice Antiferromagnet CsCeSe 2

The extraordinary properties of the Kitaev model have motivated an intense search for new physics in materials that combine geometrical and bond frustration. In this Letter, we employ inelastic neutron scattering, spin wave theory, and exact diagonalization to study the spin dynamics in the perfect triangular-lattice antiferromagnet (TLAF) CsCeSe 2 . This material orders into a stripe phase, which is demonstrated to arise as a consequence of the off-diagonal bond-dependent terms in the spin Hamiltonian. By studying the spin dynamics at intermediate fields, we identify an interaction between the single-magnon state and the two-magnon continuum that causes decay of coherent magnon excitations, level repulsion, and transfer of spectral weight to the continuum that are controlled by the strength of the magnetic field. Our results provide a microscopic mechanism for the stabilization of the stripe phase in TLAF and show how complex many-body physics can be present in the spin dynamics in a magnet with strong Kitaev coupling even in an ordered ground state. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Real-space visualization of short-range antiferromagnetic correlations in a magnetically enhanced thermoelectric

Short-range magnetic correlations can significantly increase the thermopower of magnetic semiconductors, representing a noteworthy development in the decades-long effort to develop high-performance thermoelectric materials. Here, we reveal the nature of the thermopower-enhancing magnetic correlations in the antiferromagnetic semiconductor MnTe. Using magnetic pair distribution function analysis of neutron scattering data, we obtain a detailed, real-space view of robust, nanometer-scale, antiferromagnetic correlations that persist into the paramagnetic phase above the Neel temperature $T_N$ = 307 K. In this work, the magnetic correlation length in the paramagnetic state is significantly longer along the crystallographic c axis than within the ab plane, pointing to anisotropic magnetic interactions. Ab initio calculations of the spin-spin correlations using density functional theory in the disordered local moment approach reproduce this result with quantitative accuracy. These findings constitute the first real-space picture of short-range spin correlations in a magnetically enhanced thermoelectric and inform future efforts to optimize thermoelectric performance by magnetic means.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Magnetic properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5

We investigate the physical properties of the Shastry-Sutherland lattice material BaNd 2 ZnO 5 . Neutron diffraction, magnetic susceptibility, and specific heat measurements reveal antiferromagnetic order below 1.65 K. The magnetic order is found to be a 2–Q magnetic structure with the magnetic moments lying in the Shastry-Sutherland lattice planes comprising the tetragonal crystal structure of BaNd 2 ZnO 5 . The ordered moment for this structure is 1.9(1) μB per Nd ion. Inelastic neutron scattering measurements reveal that the crystal field ground state doublet is well separated from the first excited state at 8 meV. The crystal field Hamiltonian is determined through simultaneous refinement of models with both the LS coupling and intermediate coupling approximations to the inelastic neutron scattering and magnetic susceptibility data. The ground state doublet indicates that the magnetic moments lie primarily in the basal plane with magnitude consistent with the size of the determined ordered moment.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observation of plaid-like spin splitting in a noncoplanar antiferromagnet

Spatial, momentum and energy separation of electronic spins in condensed matter systems guides the development of novel devices where spin-polarized current is generated and manipulated. Recent attention on a set of previously overlooked symmetry operations in magnetic materials leads to the emergence of a new type of spin splitting, enabling giant and momentum-dependent spin polarization of energy bands on selected antiferromagnets. Despite the ever-growing theoretical predictions, the direct spectroscopic proof of such spin splitting is still lacking. Here, we provide solid spectroscopic and computational evidence for the existence of such materials. In the noncoplanar antiferromagnet MnTe 2 , the in-plane components of spin are found to be antisymmetric about the high-symmetry planes of the Brillouin zone, comprising a plaid-like spin texture in the antiferromagnetic (AFM) ground state. Such an unconventional spin pattern, further found to diminish at the high- temperature paramagnetic state, stems from the intrinsic AFM order instead of spin- orbit coupling (SOC). Furthermore, our finding demonstrates a new type of quadratic spin texture induced by time-reversal breaking, placing AFM spintronics on a firm basis and paving the way for studying exotic quantum phenomena in related materials.

Electronic devices↗
DOE OSTI2021

Helimagnetism in MnBi 2 Se 4 Driven by Spin-Frustrating Interactions Between Antiferromagnetic Chains

We report the magnetic properties and magnetic structure determination for a linear-chain antiferromagnet, MnBi 2 Se 4 . The crystal structure of this material contains chains of edge-sharing MnSe 6 octahedra separated by Bi atoms. The magnetic behavior is dominated by intrachain antiferromagnetic (AFM) interactions, as demonstrated by the negative Weiss constant of –74 K obtained by the Curie–Weiss fit of the paramagnetic susceptibility measured along the easy-axis magnetization direction. The relative shift of adjacent chains by one-half of the chain period causes spin frustration due to interchain AFM coupling, which leads to AFM ordering at TN = 15 K. Neutron diffraction studies reveal that the AFM ordered state exhibits an incommensurate helimagnetic structure with the propagation vector k = (0, 0.356, 0). The Mn moments are arranged perpendicular to the chain propagation direction (the crystallographic b axis), and the turn angle around the helix is 128°. The magnetic properties of MnBi2Se4 are discussed in comparison to other linear-chain antiferromagnets based on ternary mixed-metal halides and chalcogenides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Observation of Quantum Anomalous Hall Effect and Exchange Interaction in Topological Insulator/Antiferromagnet Heterostructure

Integration of a quantum anomalous Hall insulator with a magnetically ordered material provides an additional degree of freedom through which the resulting exotic quantum states can be controlled. Here, an experimental observation is reported of the quantum anomalous Hall e?ect in a magnet-ically-doped topological insulator grown on the antiferromagnetic insulator Cr?O?. The exchange coupling between the two materials is investigated using ?eld-cooling-dependent magnetometry and polarized neutron re?ec-tometry. Both techniques reveal strong interfacial interaction between the antiferromagnetic order of the Cr?O? and the magnetic topological insulator, manifested as an exchange bias when the sample is ?eld-cooled under an out-of-plane magnetic ?eld, and an exchange spring-like magnetic depth pro?le when the system is magnetized within the ?lm plane. These results identify antiferromagnetic insulators as suitable candidates for the manipula-tion of magnetic and topological order in topological insulator ?lms.

Pan, Lei↗
DOE OSTI2024

Switching the spin cycloid in BiFeO3 with an electric field

Abstract Bismuth ferrite (BiFeO 3 ) is a multiferroic material that exhibits both ferroelectricity and canted antiferromagnetism at room temperature, making it a unique candidate in the development of electric-field controllable magnetic devices. The magnetic moments in BiFeO 3 are arranged into a spin cycloid, resulting in unique magnetic properties which are tied to the ferroelectric order. Previous understanding of this coupling has relied on average, mesoscale measurements. Using nitrogen vacancy-based diamond magnetometry, we observe the magnetic spin cycloid structure of BiFeO 3 in real space. This structure is magnetoelectrically coupled through symmetry to the ferroelectric polarization and this relationship is maintained through electric field switching. Through a combination of in-plane and out-of-plane electrical switching, coupled with ab initio studies, we have discovered that the epitaxy from the substrate imposes a magnetoelastic anisotropy on the spin cycloid, which establishes preferred cycloid propagation directions. The energy landscape of the cycloid is shaped by both the ferroelectric degree of freedom and strain-induced anisotropy, restricting the spin spiral propagation vector to changes to specific switching events.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quadrupolar magnetic excitations in an isotropic spin-1 antiferromagnet

The microscopic origins of emergent behaviours in condensed matter systems are encoded in their excitations. In ordinary magnetic materials, single spin-flips give rise to collective dipolar magnetic excitations called magnons. Likewise, multiple spin-flips can give rise to multipolar magnetic excitations in magnetic materials with spin S ≥ 1. Unfortunately, since most experimental probes are governed by dipolar selection rules, collective multipolar excitations have generally remained elusive. For instance, only dipolar magnetic excitations have been observed in isotropic S = 1 Haldane spin systems. Here, we unveil a hidden quadrupolar constituent of the spin dynamics in antiferromagnetic S = 1 Haldane chain material Y 2 BaNiO 5 using Ni L 3 -edge resonant inelastic x-ray scattering. Our results demonstrate that pure quadrupolar magnetic excitations can be probed without direct interactions with dipolar excitations or anisotropic perturbations. Originating from on-site double spin-flip processes, the quadrupolar magnetic excitations in Y 2 BaNiO 5 show a remarkable dual nature of collective dispersion. While one component propagates as non-interacting entities, the other behaves as a bound quadrupolar magnetic wave. This result highlights the rich and largely unexplored physics of higher-order magnetic excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Coexistence of Magnetoelectric and Antiferroelectric-like Orders in Mn 3 Ta 2 O 8

We report in materials showing a linear magnetoelectric (ME) effect, unconventional functionalities can be anticipated such as electric control of magnetism and nonreciprocal optical responses. Thus, the search for new linear ME materials is of interest in materials science. In this study, using a recently proposed design principle of linear ME materials, which is based on the combination of local structural asymmetry and collinear antiferromagnetism, we demonstrate that an anion-deficient fluorite derivative, Mn 3 Ta 2 O 8 , is a new linear ME material. This is evidenced by the onset of magnetic-field-induced electric polarization in its collinear antiferromagnetic phase below T N = 24 K. Furthermore, we also find an antiferroelectric-like phase transition at T S = 55 K, which is attributable to an off-center displacement of magnetic Mn 2+ ions. The present study shows that Mn 3 Ta 2 O 8 is a rare material that exhibits both ME and antiferroelectric-like transitions. Thus, Mn 3 Ta 2 O 8 may provide an opportunity to investigate the physics associated with complicated interactions between magnetic (spin) and electric dipole degrees of freedom.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Collective spin dynamics under dissipative spin Hall torque

Current-induced spin torques in layered magnetic heterostructures have many commonalities across broad classes of magnetic materials. These include not only collinear ferromagnets, ferrimagnets, and antiferromagnets but also more complex noncollinear spin systems. We develop a general Lagrangian–Rayleigh approach for studying the role of dissipative torques, which can pump energy into long-wavelength magnetic dynamics, causing dynamic instabilities. While the Rayleigh structure of such torques is similar for different magnetic materials, their consequences depend sensitively on the nature of the order and, in particular, on whether there is a net magnetic moment. The latter endows the system with a unipolar switching capability, while magnetically compensated materials tend to evolve toward limit cycles, at large torques, with chirality dependent on the torque sign. Apart from the ferromagnetic and antiferromagnetic cases, we discuss ferrimagnets, which display an intricate competition between switching and limit cycles. As a simple case for compensated noncollinear order, we consider isotropic spin glasses and a scenario of their coexistence with a collinear magnetic order.

Tserkovnyak, Yaroslav (ORCID:0000000232773695)↗
DOE OSTI2021

Decay and renormalization of a longitudinal mode in a quasi-two-dimensional antiferromagnet

Abstract An ongoing challenge in the study of quantum materials, is to reveal and explain collective quantum effects in spin systems where interactions between different modes types are important. Here we approach this problem through a combined experimental and theoretical study of interacting transverse and longitudinal modes in an easy-plane quantum magnet near a continuous quantum phase transition. Our inelastic neutron scattering measurements of Ba 2 FeSi 2 O 7 reveal the emergence, decay, and renormalization of a longitudinal mode throughout the Brillouin zone. The decay of the longitudinal mode is particularly pronounced at the zone center. To account for the many-body effects of the interacting low-energy modes in anisotropic magnets, we generalize the standard spin-wave theory. The measured mode decay and renormalization is reproduced by including all one-loop corrections. The theoretical framework developed here is broadly applicable to quantum magnets with more than one type of low energy mode.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Large magnetic anisotropy of a decorated spin-chain system K 2 Co 3 (MoO 4 ) 3 (OH) 2

The magnetic structure of K 2 Co 3 (MoO 4 ) 3 (OH) 2 is studied in detail. The material has a half-sawtooth one-dimensional (1-D) structure containing two unique Co 2+ ions, one in the chain backbone and one on the apex of the sawtooth creating a series of isosceles triangles along the b-axis. These triangles can be a source of magnetic frustration. The ability to grow large single crystals enables detailed magnetic measurements with the crystals oriented in a magnetic field along the respective axes. It has a Curie–Weiss temperature θ CW of 5.3(2) K with an effective magnetic moment of 4.8(3)μ B /Co. The material is highly anisotropic with a sharp antiferromagnetic ordering transition at 7 K with a metamagnetic transition at 2 kOe. Neutron diffraction was used to determine the magnetic structure and revealed a magnetic structure with canted spins along the backbone of the chain while spins along the sawtooth caps maintained a colinear orientation, arranging antiferromagnetically relative to the backbone spins. In conclusion, the parallel chains arrange antiferromagnetically relative to each other along the c-axis and ferromagnetically along the a-axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Charge-transfer-enhanced d – d emission in antiferromagnetic NiPS3

The d electron plays a significant role in determining and controlling the properties of magnetic materials. However, the d electron transitions, especially d–d emission, have rarely been observed in magnetic materials due to the forbidden selection rules. Here, we report an observation of d–d emission in antiferromagnetic nickel phosphorus trisulfides (NiPS3) and its strong enhancement by stacking it with monolayer tungsten disulfide (WS2). We attribute the observation of the strong d–d emission enhancement to the charge transfer between NiPS3 and WS2 in the type-I heterostructure. The d–d emission peak splits into two peaks, D1 and D2, at low temperature below 150 K, from where an energy splitting due to the trigonal crystal field is measured as 105 meV. Moreover, we find that the d–d emissions in NiPS3 are nonpolarized lights, showing no dependence on the zigzag antiferromagnetic configuration. These results reveal rich fundamental information on the electronic and optical properties of emerging van der Waals antiferromagnetic NiPS3.

Physics↗
DOE OSTI2023

Correct symmetry in density functional theory calculations of δ-Pu [Slides]

Density functional theory (DFT) calculations in the delta-phase of Pu have long relied on the antiferromagnetic (AFM) spin structure to approximate the material’s unique electronic structure. The resulting tetragonal distortion away from the correct cubic symmetry was believed to be a necessary consequence of allowing an ordered spin structure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗