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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Weak Ferromagnetism in Altermagnets from Alternating 𝑔-Tensor Anisotropy

Altermagnets are magnetic materials with antiferromagnetic spin ordering but exhibit ferromagnetic properties. Understanding the microscopic origin of the latter is a central problem. Ferromagnetlike properties such as the anomalous Hall effect are linked with weak ferromagnetism, whose microscopic origin in altermagnets remains unclear however. We show theoretically that the alternating 𝑔-tensor anisotropy in altermagnets can induce weak orbital ferromagnetism even when the Dzyaloshinskii-Moriya interaction is forbidden. We demonstrate this mechanism to explain weak ferromagnetism for both collinear and noncollinear spin altermagnets. Our findings provide new insights into the origin of weak ferromagnetism and suggest orbital-based ways for manipulating magnetic configurations in altermagnets.

Altermagnetism↗
DOE OSTI2024

Two-step electronic response to magnetic ordering in a van der Waals ferromagnet

The two-dimensional material Cr 2 ⁢Ge 2 ⁢Te 6 is a member of the class of insulating van der Waals (vdW) magnets. Here, using high resolution angle-resolved photoemission spectroscopy in a detailed temperature dependence study, we identify a clear response of the electronic structure to a dimensional crossover in the form of two distinct temperature scales marking onsets of modifications in the electronic structure. Specifically, we observe Te 𝑝-orbital-dominated bands to undergo changes at the Curie transition temperature 𝑇 𝐶 while the Cr 𝑑-orbital-dominated bands begin evolving at a higher temperature scale. Combined with neutron scattering, density functional theory calculations, and Monte Carlo simulations, we find that the electronic system can be consistently understood to respond sequentially to the distinct temperatures at which in-plane and out-of-plane spin correlations exceed a characteristic length scale. Finally, our findings reveal the sensitivity of the orbital-selective electronic structure for probing the dynamical evolution of local moment correlations in vdW insulating magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Ferromagnetic Insulator to Metal Transition in Noncentrosymmetric Graphene Nanoribbons

Engineering sublattice imbalance within the unit cell of bottom-up synthesized graphene nanoribbons (GNRs) represents a versatile tool for realizing custom-tailored quantum nanomaterials. The interaction between low-energy zero-modes (ZMs) not only contributes to frontier bands but can form the basis for magnetically ordered phases. Here, we present the bottom-up synthesis of a noncentrosymmetric GNR that places all ZMs on the majority sublattice sites. Scanning tunneling microscopy and spectroscopy reveal that strong electron–electron correlations, leading to the Stoner magnetic instability, drive the system into a ferromagnetically ordered insulating ground state featuring a sizable band gap of E g ∼1.2 eV. At higher temperatures, a chemical transformation induces an insulator-to-metal transition that quenches the ferromagnetic order. Tight-binding (TB), density functional theory, and GW calculations corroborate our experimental observations. Furthermore, this work showcases how control over molecular symmetry, sublattice polarization, and ZM hybridization in bottom-up synthesized nanographenes can open a path to the exploration of many-body physics in rationally designed quantum materials.

Band structure↗
DOE OSTI2020

Vortex Matter in Confined Superconductors and Mesoscopic Hybrid Heterostructures. Final report

This program studied the fundamental features that underlie the behavior of hybrid ferromagnet/superconductor heterostructures both in the regime of magnetic coupling and proximity effect. In ferromagnet/superconductor hybrid structures, the source of superconducting correlations and ferromagnetism are spatially separated. Therefore, the interplay between ferromagnetism and superconductivity results in physical effects that are not easily observed in bulk superconductors and allows to tune the local superconducting and vortex properties, realizing, thus, a new class of materials. In the case of proximity effect the ferromagnet and the superconductor are in contact and leakage of superconducting pairs is allowed into the ferromagnetic layer. Typically, the decay length for the superconducting pair correlations in the ferromagnet is of the order of one nanometer due to the typically large ferromagnetic exchange field. However, a suitable magnetic structure in the ferromagnetic material can be used to align the spins of the superconducting pairs allowing much longer penetration of superconductivity in the magnetic material. These superconducting pairs with aligned spins can carry spin and provide the basis for superconducting spintronics devices. In the case of magnetic coupling the effect of a spatial inhomogeneous stray field produced by the ferromagnet substantially modifies the nucleation of the order parameter in the superconducting layer and can lead to a significant change in the local superconducting properties. Therefore, magnetically coupled planar ferromagnet-superconductor hybrid structures offer new avenues for manipulation of the superconductivity at the nanoscale and convenient means to control vortex dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Study of Polycrystalline Bulk Sr 3 OsO 6 Double-Perovskite Insulator: Comparison with 1000 K Ferromagnetic Epitaxial Films

Polycrystalline Sr 3 OsO 6 , which is an ordered double-perovskite insulator, is synthesized via solid-state reaction under high-temperature and high-pressure conditions of 1200 ° C and 6 GPa. The synthesis enables us to conduct a comparative study of the bulk form of Sr3OsO6 toward revealing the driving mechanism of 1000 K ferromagnetism, which has recently been discovered for epitaxially grown Sr 3 OsO 6 films. Unlike the film, the bulk is dominated by antiferromagnetism rather than ferromagnetism. Thus, robust ferromagnetic order appears only when Sr 3 OsO 6 is under the influence of interfaces. A specific heat capacity of 39.6(9) X 10 -3 J mol -1 K -2 is found at low temperatures (<17 K). This value is remarkably high, suggesting the presence of possible Fermionic-like excitations at the magnetic ground state. While the bulk and film forms of Sr 3 OsO 6 share the same lattice basis and electrically insulating state, the magnetism is entirely different between them.

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

Pervasive beyond Room-Temperature Ferromagnetism in a Doped van der Waals Magnet

The existence of long-range magnetic order in low-dimensional magnetic systems, such as the quasi-two-dimensional van der Waals (vdW) magnets, has attracted intensive studies of new physical phenomena. The vdW Fe N GeTe 2 (N = 3, 4, 5; FGT) family is exceptional, owing to its vast tunability of magnetic properties. In particular, a ferromagnetic ordering temperature (T C ) above room temperature at N = 5 (F5GT) is observed. Here, our work shows that, by nickel (Ni) substitution of iron in F5GT, a record high T C =478(6) K is achieved. Importantly, pervasive, beyond room-temperature ferromagnetism exists in almost the entire doping range of the phase diagram of Ni-F5GT. We argue that this striking observation in Ni-F5GT can be possibly due to several contributing factors, including increased 3D magnetic couplings due to the structural alterations.

2-dimensional systems↗
DOE OSTI2022

Magnetic transition behavior in epitaxial Fe 47 Rh 47 Pd 6 films

The properties of Fe–Rh–Pd epitaxial thin films grown on MgO(001) were studied as a function of growth temperature. Films grown above 400°C exhibit a first-order antiferromagnetic to ferromagnetic magnetic phase transition with a transition temperature that decreases as the growth temperature is increased. The chemical order parameter computed from the ratio of intensities of the (001) and (002) diffraction peaks is nearly independent of the growth temperature, while the lattice constants change slightly. A comparison of our structural, magnetic, and electrical transport results with first-principle-based calculations as well as literature results indicates that the transition temperature of Fe–Rh-based alloy films depends sensitively on the lattice parameters and is of electronic origin. The transition temperature and its width can be tuned over a wide range by controlling the crystal structure via growth conditions or postdeposition annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High spin polarization in the disordered quaternary Heusler alloy FeMnVGa

Here in this paper, we report the successful synthesis of a Fe-based highly spin-polarized quaternary Heusler alloy FeMnVGa and its structural, magnetic, and transport properties probed through different experimental methods and theoretical techniques. Density functional theory (DFT) calculations performed on different types of structures reveal that the structure with Ga at 4a, V at 4b, Mn at 4c, and Fe at 4d (space group F$\bar{4}$3m) possess minimum energy among all the ordered variants. Ab initio simulations in the most stable ordered structure show that the compound is a ferromagnet having a large spin-polarization (89.9%). Neutron diffraction reveals that the compound crystallizes in disordered type-2 structure (space group Fm$\bar{3}$m) in which Ga occupies at 4a, V 4b and Fe/Mn occupy 4c/4d sites with 50:50 proportions. The structural disorder is further confirmed by x-ray diffraction, extended x-ray absorption fine structure, 57 Fe Mössbauer spectrometry results, and DFT calculations. Magnetization studies suggest that the compound orders ferromagnetically below T C ~ 293 K and the saturation magnetization follows the Slater-Pauling rule. Mössbauer spectrometry, along with neutron diffraction, suggest that Mn is the major contributor to the total magnetism in the compound, consistent with the theoretical calculations, which also indicates that spin polarization remains high (81.3%), even in the presence of such large atomic disorder. The robustness of the half-metallic ferromagnetic (HMF) property in the presence of disorder is a quite unique characteristic over other reported HMF in literature and makes this compound quite promising for spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

NaCo 2 (SeO 3 ) 2 (OH): competing magnetic ground states of a new sawtooth structure with 3d 7 Co 2+ ions

While certain magnetic sublattices have long been known theoretically to give rise to emergent physics via competing magnetic interactions and quantum effects, finding such configurations in real materials is often deeply challenging. Here we report the synthesis and characterization of a new such material, NaCo 2 (SeO 3 ) 2 (OH) which crystallizes with a highly frustrated sublattice of sawtooth Co 2+ chains. Single crystals of NaCo 2 (SeO 3 ) 2 (OH) were synthesized using a low-temperature hydrothermal method. X-ray single crystal structure analysis reveals that the material crystallizes in orthorhombic space group of Pnma (no. 62). Its crystal structure exhibits one-dimensional chains of corner-sharing isosceles triangles that are made of two crystallographically distinct 3d 7 Co 2+ sites (Co(1) and Co(2)). The chains run along the b-axis and are interconnected via [SeO 3 ] groups to form a three-dimensional structure mediating super-exchange interactions. The temperature dependent magnetization data show a ferromagnetic-like (FM) transition at 11 K (T 1 ) followed by an antiferromagnetic (AFM) transition at about 6 K (T 2 ). Neutron-powder diffraction measurements reveal that at T 1 = 11 K only the Co(2) site orders magnetically, forming ferromagnetic zigzag chains along the b-axis. Below T 2 = 6 K, both Co(1) and Co(2) sites order in a nearly orthogonal configuration, with Co(1) moments lying inside the plane of the sawtooth chain while Co(2) moments cant out of the plane. The canting of the magnetic moments leads to a net ferromagnetic component along b-axis, parallel to the chain direction. The ordered moments are fully compensated in the ac-plane. Inelastic neutron scattering measurements reveal crystal field excitations that are consistent with the presence of a spin–orbital entangled pseudo-spin state J eff = 1/2 for the Co 2+ ions. Low-energy spin-wave excitations are observed below the second magnetic transition. The analysis of powder excitation spectrum suggests complex exchange interactions that go beyond a Heisenberg Hamiltonian model with nearest neighbor couplings. Our results demonstrate the richness of the magnetic properties of sawtooth-type structures and encourage the study of similar structures with different oxyanion groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Computational prediction of ferromagnetic 𝐴⁢𝑇 6 ⁢𝑋 6 kagome compounds

We present a systematic high-throughput density-functional-theory investigation of the structural and magnetic stability of 312 substitutional compounds in the magnetic kagome 𝐴⁢𝑇 6⁢ 𝑋 6 family. Our screening confirms the stability of many previously reported structures and predicts several additional stable candidates. Within collinear spin configurations, we find that Fe-based systems predominantly adopt antiferromagnetic ground states, whereas Mn-based analogs exhibit a more balanced distribution between ferromagnetic and antiferromagnetic order. For compounds exhibiting several nearly degenerate collinear configurations, we analyze the nature of their magnetic ground states, assess the possible emergence of noncollinear order, and discuss the limitations and uncertainties inherent to standard density-functional approaches. Our electronic structure analysis further reveals that predicted ferromagnetic kagome systems display characteristic features of topological metals, with rich magnetic configurations that can be tuned by chemical substitution. Altogether, these ferromagnetic kagome compounds constitute a broad and still largely unexplored materials platform for the emergence of exciting magnetotransport phenomena.

Density functional calculations↗
DOE OSTI2024

Characterizing the nonequilibrium response of FeRh thin films using time-domain thermoreflectance

Time-domain thermoreflectance (TDTR) characterization of FeRh throughout its first-order antiferromagnetic (AF) to ferromagnetic (FM) transition shows that the transient reflectance ΔR⁡(t)/R strongly depends on the magnetic order of the sample. Using TDTR, which uses optical pulses to induce small temperature excursions, we have found that Δ⁢R⁡(t)/R of the AF phase exhibits a large negative response, while the response of the FM phase is positive. This magnetic phase sensitivity has allowed us to study the transient response of both the AF and FM phases to the pump-pulse excitation and the mixed phase of the material. These results are significant since the ultrafast properties of antiferromagnetic materials and mixed antiferromagnetic and ferromagnetic materials are difficult to detect using other conventional techniques. We have found that the AF phase exhibits a strong subpicosecond decaying signal not observed in the FM phase. The magnetic phase dependence of the sign of Δ⁢R⁡(t)/R is qualitatively explained using the results of ab initio density functional theory calculations. Using the two-temperature model, we found that the change in the thermalization time across the transition is caused by differences in both the electronic heat capacity and the electron-phonon coupling factor of the AF and FM phases. The electron-phonon coupling constant in the AF phase is also determined using the two-temperature model conducted using the ntmpy code package. For the FM phase, we provide boundaries for the magnitude of the electron-phonon coupling factor for the FM phase. Finally, these results indicate that TDTR can be used to study the transient properties of magnetic materials that are otherwise challenging to probe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetoresistance effects in a spin-fermion model for multilayers

Here, we consider a spin-fermion model consisting of free electrons coupled to classical spins where the latter are embedded in a quasi-one-dimensional superlattice structure consisting of spin blocks separated by spinless buffers. Using a spiral ansatz for the spins, we study the effect of the electron mediated Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction on the $\textit{T}$ = 0 ground state of the system. We find that the RKKY interaction can lead to ferromagnetic, antiferromagnetic, or intermediate spiral phases for different system parameters. When the width is much larger than the length of the individual blocks, the spiral phases are suppressed, and the ground state oscillates between ferromagnetic and antiferromagnetic orders as the size of the buffer regions is varied. This is accompanied by a corresponding oscillation in the Drude weight reflecting an increased conductivity in the ferromagnetic state compared to the antiferromagnetic one. These results are reminiscent of classic giant magnetoresistance phenomena observed in a similar geometry of thin sandwiched magnetic and nonmagnetic layers. Our analysis provides a robust framework for understanding the role of the RKKY interaction on the ground-state order and corresponding transport properties of such systems, extending beyond the conventional perturbative regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Probing the tunability of magnetism with external pressure in metastable Sr 2 NiIrO 6 double perovskite

In Sr 2 NiIrO 6 long-range Ir-Ir antiferromagnetic exchange interactions have been reported to overcome the ferromagnetic Ni-Ir interactions hampering the otherwise expected ferromagnetic behavior. Prompted by this, a combination of x-ray absorption spectroscopy and x-ray diffraction at high pressure is used here to investigate the interplay between the magnetic structure of the Ir sublattice and lattice degrees of freedom. In this work, the compression of Sr 2 NiIrO 6 drives an unexpected nonmonotonic change of the x-ray magnetic circular dichroism (XMCD) spectra: The intensity first decreases in the 0- to 18-GPa range, then shows an increase in the 18- to 30-GPa range and again decreases for higher pressures. The XMCD intensity, a measure of the net magnetization in the Ir sublattice, however, is found to remain very low in the whole pressure range so the observed changes do not correspond with a transition from antiferromagnetic to ferromagnetic or ferrimagnetic order. The evolution of the XMCD is better explained in terms of a weakening/strengthening of the long-range antiferromagnetic (AFM) IrIr interaction between ferromagnetic planes associated with the reduction of the lattice parameters. In particular, a correlation can be established between the evolution of the b/a ratio and the weakening/strengthening of the AFM interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Field-induced partial disorder in a Shastry-Sutherland lattice

Abstract A 2-Q antiferromagnetic order of the ferromagnetic dimers was found below T N = 2.9 K in the Shastry-Sutherland lattice BaNd 2 ZnS 5 by single crystal neutron diffraction. The magnetic order can be understood by the orthogonal arrangement of local Ising Nd spins, identified by polarized neutrons. A field was applied along [1 -1 0] to probe the observed metamagnetic transition in the magnetization measurement. The field decouples two magnetic sublattices corresponding to the propagation vectors q 1 = (½, ½, 0) and q 2 = (−½, ½, 0), respectively. Each sublattice shows a “stripe” order with a Néel-type arrangement in each single layer. The “stripe” order with q 1 remains nearly intact up to 6 T, while the other one with q 2 is suppressed at a critical field H c ~1.7 T, indicating a partial disorder. The H c varies with temperature and is manifested in the H - T phase diagram constructed by measuring the magnetization in BaNd 2 ZnS 5 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Robust antiferromagnetism in Y 2 Co 3

We report on a solution-growth based method to synthesise single crystals of Y 2 Co 3 and on its structural and magnetic properties. We find that Y 2 Co 3 crystallizes in the La 2 Ni 3 -type orthorhombic structure with space group Cmce (No. 64), with Co forming distorted kagome lattices. Y 2 Co 3 orders antiferromagnetically below TN=252 K. Magnetization measurements reveal that the moments are primarily aligned along the b axis with evidence for some canting. Band-structure calculations indicate that ferromagnetic and antiferromagnetic orders are nearly degenerate, at odds with experimental results. Magnetization measurements under pressure up to 1 GPa reveal that the Néel temperature decreases with the slope of -1.69 K/GPa. We observe a field-induced spin-flop transition in the magnetization measurements at 1.5 K and 21 T with magnetic field along the b direction. The magnetization is not saturated up to 35 T, indicating that the antiferromagnetic ordering in Y 2 Co 3 is quite robust, which is surprising for such a Co-rich intermetallic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evolution of noncollinear magnetism in magnetocaloric MnPtGa

MnPtGa crystallizes in the hexagonal Ni 2 In structure type in space group P6 3 /mmc and has been reported to display a ferromagnetic Curie temperature near 220K. Here we find a transition near T c = 236 K to a ferromagnetic state, albeit with a reduced moment from what is expected for collinear ordering. The peak magnetocaloric entropy change was determined to be ΔS M = –1.9 J kg –1 K –1 for an applied magnetic field of H = 5 T at the ferromagnetic ordering temperature. Magnetostructural coupling manifests as a change in the slope of the thermal expansion coefficients of the c lattice parameter near T c , with a negative spontaneous volume magnetostriction; ω = –300 ppm at 190K. In this work, neutron powder diffraction studies of the magnetic ground state reveal an evolution in complexity as temperature decreases: from a ferromagnet, to a canted antiferromagnet, to the eventual formation of a spin-density-wave state at low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ferrimagnetism in EuFe 4 As 12 revealed by 153 Eu NMR and 75 As NQR measurements

Filled skutterudite compound EuFe 4 As 12 shows the highest magnetic ordering temperature of T C =154K among Eu-based skutterudite compounds, but its magnetic ground state has not been determined yet. In this study, we performed 153 Eu nuclear magnetic resonance (NMR) and 75 As nuclear quadrupole resonance (NQR) measurements on EuFe 4 As 12 to reveal its magnetic ground state as well as the physical properties from a microscopic point of view. From the temperature and magnetic field dependence of 153 Eu NMR spectrum in the magnetically ordered state, we found that the Eu ions are in Eu 2+ state with a nearly 7 μB corresponding to S=7/2 spins. Combined with the magnetization measurements, which show the reduced saturation moments of 4.5 μB/f.u., we determined the ground magnetic structure in EuFe 4 As 12 to be ferrimagnetic where the Eu 2+ 4f and the Fe 3d ordered moments are ferromagnetically aligned in each sublattice but the moments between the sublattices are antiferromagnetically aligned. We also found the local distortion at the Eu site from the cubic symmetry in the magnetically ordered state. The relationship between the rattling motion of Eu atoms and the local symmetry of the Eu ions is discussed. From the 75 As NQR nuclear spin-lattice relaxation time measurements as well as 153 Eu NMR measurements, we found that the 4f electrons of the Eu ions are well described by the local moment picture in both the magnetic and paramagnetic metallic states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Properties of La 0.7 Ca 0.3 MnO 3 under extreme tensile strain

The complex phase diagram of manganites with simultaneously active spin, charge, orbital, and lattice degrees of freedom continues providing surprises. In a recent groundbreaking experiment, membranes of the perovskite manganite La 0.7 Ca 0.3 MnO 3 (LCMO) deposited on a flexible polymer layer were strained up to 8% [S. S. Hong et al., Science 368, 71 (2020)], much more than achieved by regular strain induced by a rigid substrate. By increasing this strain, a metal-insulator transition was reported. Here we reproduce the results of the experiments using Monte Carlo simulations of the two-orbital double-exchange model including Jahn-Teller distortions at hole density x=1/3. The full phase diagram with varying temperature and Jahn-Teller coupling λ is presented. When the bandwidth W of mobile electrons is reduced, thus when the effective Jahn-Teller coupling λ/W is increased, a metal-insulator transition is found in our simulations, between a ferromagnetic metallic state with uniform charge distribution and an insulator with diagonal charge stripes that retains its ferromagnetic character. In between the hole-rich diagonals, staggered orbital order occurs. We also report resistivity and magnetization measurements alongside with spin correlations and charge structure factors. Our overall conclusions are in agreement with the recent experimental and density functional theory results by Hong et al., and we confirm much earlier ground state predictions of striped ferromagnetic order using energy optimization techniques by T. Hotta et al. [Phys. Rev. Lett. 86, 4922 (2001)]. The experimental observation of one of the states predicted by theory suggests that diagonal stripes could be achieved at other hole densities as well, such as x=1/4, if LCMO membranes with that hole doping were subject to similar strains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗