Search NASA⌕ Search

SEARCH · Search NASA

Results for “antiferromagnetic materials”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Proximate ferromagnetic state in the Kitaev model material α-RuCl 3

α-RuCl 3 is a major candidate for the realization of the Kitaev quantum spin liquid, but its zigzag antiferromagnetic order at low temperatures indicates deviations from the Kitaev model. We have quantified the spin Hamiltonian of α-RuCl 3 by a resonant inelastic x-ray scattering study at the Ru L 3 absorption edge. In the paramagnetic state, the quasi-elastic intensity of magnetic excitations has a broad maximum around the zone center without any local maxima at the zigzag magnetic Bragg wavevectors. This finding implies that the zigzag order is fragile and readily destabilized by competing ferromagnetic correlations. The classical ground state of the experimentally determined Hamiltonian is actually ferromagnetic. The zigzag state is stabilized by quantum fluctuations, leaving ferromagnetism – along with the Kitaev spin liquid – as energetically proximate metastable states. The three closely competing states and their collective excitations hold the key to the theoretical understanding of the unusual properties of α-RuCl 3 in magnetic fields.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Structural origin of resonant diffraction in RuO2

We report Ru L3-edge resonant X-ray diffraction studies on single crystal and (001) oriented epitaxial films of RuO2. We investigate the distinct Q = (100) and (001) Bragg-forbidden reflections as a function of incident energy, azimuthal angle, and temperature. The results show that the observed resonant diffraction in RuO2 is fully consistent with a resonant charge anisotropy signal of structural origin permitted by the parent (non-magnetic) rutile P42/mnm space group. These results significantly constrain the magnetic contribution to the resonant diffraction signal and indicate the unlikely existence of k = 0 antiferromagnetic order in RuO2.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Tuning magnetism in Ising-type van der Waals magnet FePS 3 by lithium intercalation

Recently, layered transition metal thiophosphate MPX 3 (M = transition metals, X = S or Se) have gained significant attention because of their rich magnetic, optical, and electronic properties. Specifically, the diverse magnetic structures and the robustness of magnetism in the two-dimensional (2D) limit have made them prominent candidates to study 2D magnetism. Numerous efforts such as substitutions and interlayer intercalations have been adopted to tune the magnetic properties of these materials, which has greatly deepened the understanding of the underlying mechanisms that govern the properties. In this work, we focus on modifying the magnetism of Ising-type antiferromagnet FePS 3 using electrochemical lithium intercalation. Furthermore, our work demonstrate the effectiveness of electrochemical intercalation as a controllable tool to modulating magnetism, including tuning magnetic ordering temperature and inducing low temperature spin-glass state, offering an approach for implementing this material into applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetoelastic standing waves induced in UO 2 by microsecond magnetic field pulses

Significance UO 2 is of particular interest due to its use as a nuclear fuel, its unusually poor thermal conductivity, and its uniquely strong magnetoelastic properties characterized by a linear coupling between strain and magnetization. We clearly observe mechanical standing waves and elastic resonances in a single crystal, induced by microsecond magnetic field pulses. The phase and amplitude of the mechanical resonances are modulated by the piezomagnetic switching behavior, offering a sensitive probe for otherwise hard to detect magnetic dynamics in UO 2 . We highlight the importance of magnetic domains in the attenuation of the mechanical resonances and the robustness of the antiferromagnetic state in UO 2 against externally applied magnetic fields to 150 T.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Magnetic structure and magnetoelectric coupling in the antiferromagnet Co 5⁢ (Te⁢O 3 ) 4 ⁢Cl 2

The van der Waals (vdW) layered multiferroics, which host simultaneous ferroelectric and magnetic orders, have attracted attention not only for their potentials to be utilized in nanoelectric devices and spintronics, but also offer alternative opportunities for emergent physical phenomena. To date, the vdW layered multiferroic materials are still very rare. In this work, we have investigated the magnetic structure and magnetoelectric (ME) effects in Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 , a promising multiferroic compound with antiferromagnetic (AFM) Néel point T N ~18 K. The neutron-powder diffraction reveals the noncoplanar AFM state with preferred Néel vector along the c axis, while a spin reorientation occurring between 8 and 15 K is identified, which results from the distinct temperature dependence of the nonequivalent Co site's moment in Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 . Moreover, it is found that Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 is one of the best vdW multiferroics studied so far in terms of the multiferroic performance. The measured linear ME coefficient exhibits the emergent oscillation dependence of the angle between magnetic field and electric field, and the maximal value is as big as 45 ps/m. Finally, it is suggested that Co 5 ⁢(Te⁢O 3 ) 4 ⁢Cl 2 is an appreciated platform for exploring the emergent multiferroicity in vdW layered compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Frustrated Ising charge correlations in the kagome metal ScV 6 Sn 6

Here we resolve the real-space nature of the high-temperature, short-range charge correlations in the kagome metal ScV 6 Sn 6 . Diffuse scattering appears along a frustrated wave vector q H = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{2}$) at temperatures far exceeding the charge order T CO = 92 K, preempting long-range charge order with wave vectors along q$_{\bar{K}}$ = ($\frac{1}{3}, \frac{1}{3}, \frac{1}{3}$). Using a combination of real space and reciprocal space analysis, we resolve the nature of the interactions between the primary out-of-plane Sc-Sn chain instability and the secondary strain-mediated distortion of the in-plane V kagome network. Finally, a minimal model of the diffuse scattering data reveals a high-temperature, short-ranged "zig-zag" phase of in-plane correlations that maps to a frustrated triangular lattice Ising model with antiferromagnetic interactions and provides a real-space understanding of the origin frustrated charge order in this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

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↗
DOE OSTI2025

Interleaved bond frustration in a triangular lattice antiferromagnet

Frustration of long-range order via lattice geometry amplifies fluctuations and generates ground states that are highly sensitive to perturbations. Traditionally, geometric frustration is used to engineer unconventional magnetic states; however, the charge degree of freedom and bond order can be similarly frustrated. Finding materials that host both frustrated magnetic and bond networks holds promise for engineering structural and magnetic states with the potential of coupling to one another via either magnetic or strain fields. Here we identify an unusual instance of this coexistence in the triangular lattice antiferromagnets LnCd 3 P 3 (Ln = lanthanides). These compounds feature two-dimensional planes of unique trigonal planar CdP 3 units with an underlying bond instability that is frustrated via emergent kagome ice correlations. This bond instability is interleaved in between layers of frustrated magnetic moments. Furthermore, our results establish LnCd 3 P 3 as a rare materials class in which frustrated magnetism is embedded within a dopable semiconductor with a frustrated bond order instability.

Gomez Alvarado, S. J. [University of California, S↗
DOE OSTI2020

Layer-resolved magnetic proximity effect in van der Waals heterostructures

Magnetic proximity effects are integral to manipulating spintronic, superconducting, excitonic and topological phenomena in heterostructures. These effects are highly sensitive to the interfacial electronic properties, such as electron wavefunction overlap and band alignment. The recent emergence of magnetic two-dimensional materials opens new possibilities for exploring proximity effects in van der Waals heterostructures. In particular, atomically thin CrI 3 exhibits layered antiferromagnetism, in which adjacent ferromagnetic monolayers are antiferromagnetically coupled. In this paper, we report a layer-resolved magnetic proximity effect in heterostructures formed by monolayer WSe 2 and bi/trilayer CrI 3 . By controlling the individual layer magnetization in CrI 3 with a magnetic field, we show that the spin-dependent charge transfer between WSe 2 and CrI 3 is dominated by the interfacial CrI 3 layer, while the proximity exchange field is highly sensitive to the layered magnetic structure as a whole. In combination with reflective magnetic circular dichroism measurements, these properties allow the use of monolayer WSe 2 as a spatially sensitive magnetic sensor to map out layered antiferromagnetic domain structures at zero magnetic field as well as antiferromagnetic/ferromagnetic domains at finite magnetic fields. Our work reveals a way to control proximity effects and probe interfacial magnetic order via van der Waals engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Strong influence of nonmagnetic ligands on the momentum-dependent spin splitting in antiferromagnets

Here, recent studies show the nonrelativistic antiferromagnetic ordering could generate momentum-dependent spin splitting analogous to the Rashba effect but free from the requirement of relativistic spin-orbit coupling. Whereas the classification of such compounds can be illustrated by different spin-splitting prototypes (SSTs) from symmetry analysis and density-functional-theory calculations, the huge variation in chemical bonding and structures of these diverse compounds possibly clouds the issue of how much of the variation in spin splitting can be traced back to the symmetry-defined characteristics, rather to the underlining chemical and structural diversity. The alternative model Hamiltonian approaches do not confront the issues of chemical and structural complexity but often consider only the magnetic sublattice, dealing with the all-important effects of the nonmagnetic ligands via renormalizing the interactions between the magnetic sites. To this end, we constructed a DFT model Hamiltonian that allows us to study SSTs at constant chemistry while retaining the realistic atomic-scale structure including ligands. This is accomplished by using a single, universal magnetic skeletal lattice (Ni 2+ ions in rocksalt NiO) and designing small displacements of the nonmagnetic (oxygen) sublattice which produce, by design, the different SST magnetic symmetries. We show that (i) even similar crystal structures having very similar band structures can lead to contrasting behavior of spin splitting vs momentum, and (ii) even subtle deformations of the nonmagnetic ligand sublattice could cause a giant spin splitting in AFM-induced SST. This is a paradigm shift relative to the convention of modeling magnets without considering the nonmagnetic ligand that mediates indirect magnetic interaction (e.g., superexchange).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Defect-mediated ferromagnetism in correlated two-dimensional transition metal phosphorus trisulfides

Controlling the magnetic spin states of two-dimensional (2D) van der Waals (vdW) materials with strong electronic or magnetic correlation is important for spintronic applications but challenging. Crystal defects that are often present in 2D materials such as transition metal phosphorus trisulfides (MPS 3 ) could influence their physical properties. Here, we report the effect of sulfur vacancies on the magnetic exchange interactions and spin ordering of few-layered vdW magnetic Ni 1-x Co x PS 3 nanosheets. Magnetic and structural characterization in corroboration with theoretical calculations reveal that sulfur vacancies effectively suppress the strong intralayer antiferromagnetic correlation, giving rise to a weak ferromagnetic ground state in Ni 1-x Co x PS 3 nanosheets. Notably, the magnetic field required to tune this ferromagnetic state (<300 Oe) is much lower than the value needed to tune a typical vdW antiferromagnet (> several thousand oersted). These findings provide a previously unexplored route for controlling competing correlated states and magnetic ordering by defect engineering in vdW materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin-Transfer-Torque Oscillator with an Antiferromagnetic Exchange-Coupled Composite Free Layer

We present an antiferromagnetically exchange-coupled composite (soft and hard layers) spin torque oscillator (AF-ECC STO) and demonstrate its operation via both analytical and micromagnetic modeling. The operation exploits the exchange field due to the antiferromagnetic coupling between soft and hard sublayers of the free layer as well as on the easy-plane anisotropy of the soft sublayer. Optimized AF-ECC STO structures can generate large-amplitude magnetization oscillations, which can be tuned over a broad frequency range with precessions mostly generated by the soft layer. We demonstrate that the AF-ECC STO structure offers flexibility in current control of the oscillation frequency and magnetization angle for realistic material parameters.

42 ENGINEERING↗
DOE OSTI2026

MnRhBi3: A Cleavable Antiferromagnetic Metal

This dataset contains DFT input and output files supporting the theoretical modeling in the associated publication (Chem. Mater. 2024, 36, 11306-11316). The calculations characterize MnRhBi3, an orthorhombic (Cmmm) van der Waals-layered intermetallic compound that cleaves easily between neighboring Bi layers. The dataset is organized into three calculation types: (i) Bulk: Structural relaxations of the periodic MnRhBi3 crystal in antiferromagnetic (AFM) and ferromagnetic (FM) configurations, using the vdW-DF-optB86b functional. These provide the equilibrium lattice constants, magnetic energy differences (AFM is 0.5 meV/f.u. lower than FM), and magnetic moments (4.4 µB/Mn, 0.17 µB/Rh, 0.18 µB/Bi) reported in Table 1 of the main text. (ii) Slab: Same magnetic configurations computed with an 18 Ang vacuum layer introduced between Bi layers, used to calculate the cleavage energy Ec = 0.56 J/m2 (AFM) and 0.57 J/m2 (FM), establishing MnRhBi3 as a van der Waals-layered material comparable to graphite, MoS2, and CrI3. (iii) ELF: Single-point calculation on the relaxed bulk AFM geometry with LELF=.TRUE., producing the ELFCAR file used to generate electron localization function isosurfaces and contour maps (Fig. 2, main text) showing Bi lone pairs directed into the van der Waals gaps. All folders contain CONTCAR, INCAR, KPOINTS, OUTCAR, and POSCAR. The ELF/ folder additionally contains ELFCAR. Calculations were performed using VASP 6.3.2 with PBE + vdW-DF-optB86b, PAW potentials, and an energy cutoff of 800 eV.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materializing rival ground states in the barlowite family of kagome magnets: quantum spin liquid, spin ordered, and valence bond crystal states

The spin- 1 2 kagome antiferromagnet is considered an ideal host for a quantum spin liquid ground state. We find that when the bonds of the kagome lattice are modulated with a periodic pattern, new quantum ground states emerge. Newly synthesized crystalline barlowite (Cu 4 (OH) 6 FBr) and Zn-substituted barlowite demonstrate the delicate interplay between singlet states and spin order on the spin- 1 2 kagome lattice. Comprehensive structural measurements demonstrate that our new variant of barlowite maintains hexagonal symmetry at low temperatures with an arrangement of distorted and undistorted kagome triangles, for which numerical simulations predict a pinwheel va- lence bond crystal (VBC) state instead of a quantum spin liquid (QSL). The presence of interlayer spins eventually leads to an interesting pinwheel q=0 magnetic order. Partially Zn-substituted bar- lowite (Cu 3.44 Zn 0.56 (OH) 6 FBr) has an ideal kagome lattice and shows QSL behavior, indicating a surprising robustness of the QSL against interlayer impurities. The magnetic susceptibility is simi- lar to that of herbertsmithite, even though the Cu 2+ impurities are above the percolation threshold for the interlayer lattice and they couple more strongly to the nearest kagome moment. This system is a unique playground displaying QSL, VBC, and spin order, furthering our understanding of these highly competitive quantum states.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Pressure‐Induced Structural and Magnetic Evolution in Layered Antiferromagnet YbMn 2 Sb 2

Electronic states under pressure exhibit unconventional spin and charge dynamics that provide a powerful route to uncover exotic phases in quantum materials. Here, we present the structural, magnetic, and electronic evolution of YbMn 2 Sb 2 under pressure. Single-crystal X-ray diffraction reveals a pressure-induced structural transition from the space group trigonal P$\overline{3}$m1 to the monoclinic P2 1 /m phase near 3.5 GPa, which remains stable up to 10 GPa. Magnetization measurements display an anomalously weak net magnetic moment and the absence of Curie–Weiss behavior up to 400 K, suggesting the formation of short-range Mn moment pairs that cancel macroscopically and subsequently evolve into long-range order upon cooling. Temperature-dependent resistivity shows semiconducting behavior with a transition at ∼119 K at ambient pressure, while pressure induces a dramatic suppression of resistance and the emergence of metallic-like temperature dependence, stabilized beyond 5 GPa. This pressure-driven semiconductor-metal transition is consistent with our density functional theory calculations, confirming the closing of the band gap under compression. Neutron diffraction under pressure identifies an incommensurate magnetic structure with antiparallel correlations between paired spins. Together, these results demonstrate how pressure-driven structural tuning and competing exchange interactions stabilize unconventional magnetic states in this low-dimensional magnetic semiconductor.

antiferromagnetic semiconductor↗
DOE OSTI2022

Optical fingerprints of the electronic band reconstruction in van der Waals magnetic materials

We report a broadband study of the charge dynamics in the van der Waals magnetic materials 2H-M x TaS 2 (M = Mn and Co), which span the onset of both long-range antiferromagnetic (AFM) and ferromagnetic (FM) order, depending on the intercalation M and its concentration x. We discover a spectral weight (SW) shift from high to low energy scales for FM compositions, while reversely SW is removed from low towards high spectral energies for AFM compounds. This maps the related reconstruction of the electronic band structure along the crossover from the FM to AFM order, which restores an occupation balance in the density of states between spin majority and minority bands of the intercalated 3d elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Anisotropic magnetism of the Shastry-Sutherland lattice material BaNd 2 PtO 5

For this work, single crystals were grown and characterized to investigate the physical properties and magnetic ground state of BaNd 2 PtO 5 , a candidate to host physics of the Shastry-Sutherland model. Analysis of single crystal x-ray diffraction data yields an updated crystal structure, similar to the prior report but now in space group P4/mbm. Magnetization and specific heat measurements reveal an antiferromagnetic transition at T N =1.9K and a large magnetic anisotropy with in-plane magnetization much larger than out-of-plane magnetization. Single crystal neutron diffraction at zero field reveals a propagation vector of ($\frac{1}{2}$$\frac{1}{2}$$\frac{1}{2}$) for the magnetic ground state as compared to the ($\frac{1}{2}$$\frac{1}{2}$0) wave vector observed in the related body-centered material BaNd 2 ZnO 5 . The ground state is found to be a fully compensated antiferromagnet with diffraction data well fitted within the magnetic space group P S –1 (BNS setting #2.7). The ordered moment is mostly in the basal plane with nearest neighbors forming ferromagnetic dimers, however it also has a finite out-of-plane component unlike the related easy-plane materials BaNd 2 ZnO 5 and BaNd 2 ZnS 5 . Field-induced transitions are observed below T N when the field is applied within the basal plane, and in-plane anisotropy of the associated critical fields is observed. The magnetization is strongly impacted by misalignment of the field away from high symmetry directions. These results suggest complex magnetic structures may arise in the field-induced states, and they highlight the need for extreme care when studying this and related Shastry-Sutherland materials.

36 MATERIALS SCIENCE↗