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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Pressure-induced suppression of ferromagnetism in the itinerant ferromagnet LaCrSb 3

We have performed an extensive pressure-dependent structural, spectroscopic, and electrical transport study of LaCrSb 3 . The ferromagnetic phase (TC=120 K at p = 0 GPa) is fully suppressed by p = 26.5 GPa and the Cr moment decreases steadily with increasing pressure. The unit-cell volume decreases smoothly up to p = 55 GPa. We find that the bulk modulus and suppression of the magnetism are in good agreement with theoretical predictions, but the Cr moment decreases smoothly with pressure, in contrast to steplike drops predicted by theory. The ferromagnetic ordering temperature appears to be driven by the Cr moment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
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 OSTI2018

Tuning Noncollinear Spin Structure and Anisotropy in Ferromagnetic Nitride MXenes

Recent experimental success in the realization of two-dimensional magnetism has invigorated the search for low-dimensional material systems with tunable magnetic anisotropy that exhibit intrinsic long-range ferromagnetic order. Here in this paper, we report that modifying the surface termination and transition metal in monolayer M 2 NT x nitride MXenes gives rise to a rich diversity of noncollinear spin structures and finely tunable magnetocrystalline anisotropy. Based on first-principles simulations, we predict that manipulating the strength of the spin–orbit interaction and electron localization via the chemical degrees of freedom can induce sufficient anisotropy to counteract thermal fluctuations that suppress long-range magnetic order. We find that Ti 2 NO 2 and Mn 2 NF 2 MXenes have continuous O(3) and O(2) spin symmetries, respectively, that may be broken by an applied field, while Cr 2 NO 2 and Mn 2 NO 2 are intrinsic Ising ferromagnets with out-of-plane easy axes and magnetic anisotropy energies up to 63 μeV/atom. These systems also exhibit both gapped and gapless Dirac points near the Fermi level. Our study suggests that nitride MXenes offer a promising avenue for achieving both practical spintronic devices and investigating fundamental spin processes in two-dimensional materials.

2D materials↗
DOE OSTI2016

Damped Topological Magnons in the Kagome-Lattice Ferromagnets

In this paper, we demonstrate that interactions can substantially undermine the free-particle description of magnons in ferromagnets on geometrically frustrated lattices. The anharmonic coupling, facilitated by the Dzyaloshinskii-Moriya interaction, and a highly-degenerate two-magnon continuum yield a strong, non-perturbative damping of the high-energy magnon modes. We provide a detailed account of the effect for the S=1/2 ferromagnet on the kagomé lattice and propose further experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Prediction of a new class of half-metallic ferromagnets from first principles [A new class of half-metallic ferromagnets from first principles]

Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCr$_{2}$Si$_{2}$' (122) structure -- isostructural and containing elements common with Fe pnictide-based superconductors -- can exhibit HMFM. Here we use $ab$ $initio$ density-functional theory calculations to understand the onset of half-metallicity in this family of materials and explain the appearance of ferromagnetism at a quantum critical point. We also predict new candidate materials with HMFM and high Curie temperatures through A-site alloying.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Coherent magnetic nanoinclusions induce charge localization in half-Heusler alloys leading to high- T c ferromagnetism and enhanced thermoelectric performance

Performance improvement traditionally realized through a combination of power factor optimization via electronic doping and lattice thermal conductivity reduction using nanostructuring have reached their optimal limits in many leading thermoelectric materials, making further enhancement in the thermoelectric figure of merit extremely challenging. Here, a novel approach to electronic transport engineering using coherent magnetic nanoinclusions is demonstrated. It was found that the incorporation of coherent magnetic full-Heusler (FH) nanoinclusions (Ti(Ni 4/3 Fe 2/3 )Sn) into a half-Heusler (HH) matrix (Ti 0.25 Zr 0.25 Hf 0.5 NiSn 0.975 Sb 0.025 ) with optimal doping level and lattice thermal conductivity leads to high Curie temperature ferromagnetism (T c ~ 650 K) along with a large reduction in the effective carrier density within the HH matrix. It is believed that the embedded magnetic FH nanoinclusions interact with the spin of itinerant carriers, leading to charge localization and the formation of overlapping bound magnetic polarons (BMPs). This gives rise to significant enhancements of both carrier mobility and thermopower, which minimizes the reduction in the overall power factor, simultaneously with a large drop in the total thermal conductivity owing to the reduction of the electronic contribution to the thermal conductivity. Here, whe implementation of the magnetic nanoinclusions strategy in a variety of state-of-the-art thermoelectric materials could pave the way towards even larger figures of merit.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Formation of short-range magnetic order and avoided ferromagnetic quantum criticality in pressurized LaCrGe 3

LaCrGe 3 has attracted attention as a paradigm example of the avoidance of ferromagnetic (FM) quantum criticality in an itinerant magnet. In this work, we combined thermodynamic (specific heat and thermal expansion), transport, x-ray, and neutron scattering as well as μSR measurements to obtain insights on the temperature-pressure phase diagram of LaCrGe 3 . Consistent with previous studies of the phase diagram by transport measurements, our thermodynamic data shows clearly that the FM transition at T FM changes its character from second order to first order when it is suppressed to low temperatures by pressure. In addition, previous studies demonstrated that for high pressures a new phase occurs below T 2 , which was proposed to be a long-wavelength antiferromagnetic state (AFM q ). In this paper, we provide evidence from our thermodynamic data that this phase transition is preceded by yet another phase transition at T 1 >T 2 . Our μSR data indicate that full magnetic volume fraction is only established below T 2 , but that this magnetism is characterized by a short correlation length. Within the experimental resolution, our neutron-scattering data is not able to identify any magnetic Bragg peaks. Overall, the microscopic magnetic data is therefore consistent with the formation of FM clusters in the proximity of the avoided FM quantum critical point in LaCrGe 3 . This conclusion is at odds with the previous proposal of AFM q order and raises questions on the role of disorder in this stochiometric compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Large Magnetic Gap in a Designer Ferromagnet–Topological Insulator–Ferromagnet Heterostructure

Abstract Combining magnetism and nontrivial band topology gives rise to quantum anomalous Hall (QAH) insulators and exotic quantum phases such as the QAH effect where current flows without dissipation along quantized edge states. Inducing magnetic order in topological insulators via proximity to a magnetic material offers a promising pathway toward achieving the QAH effect at a high temperature for lossless transport applications. One promising architecture involves a sandwich structure comprising two single‐septuple layers (1SL) of MnBi 2 Te 4 (a 2D ferromagnetic insulator) with ultrathin few quintuple layer (QL) Bi 2 Te 3 in the middle, and it is predicted to yield a robust QAH insulator phase with a large bandgap greater than 50 meV. Here, the growth of a 1SL MnBi 2 Te 4 /4QL Bi 2 Te 3 /1SL MnBi 2 Te 4 heterostructure via molecular beam epitaxy is demonstrated and the electronic structure probed using angle‐resolved photoelectron spectroscopy. Strong hexagonally warped massive Dirac fermions and a bandgap of 75 ± 15 meV are observed. The magnetic origin of the gap is confirmed by the observation of the exchange‐Rashba effect, as well as the vanishing bandgap above the Curie temperature, in agreement with density functional theory calculations. These findings provide insights into magnetic proximity effects in topological insulators and reveal a promising platform for realizing the QAH effect at elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Coexistence of antiferromagnetic and ferromagnetic spin correlations in Ca ( Fe 1 - x Co x ) 2 As 2 revealed by As 75 nuclear magnetic resonance

Recent nuclear magnetic resonance (NMR) measurements revealed the coexistence of stripe-type antiferromagnetic (AFM) and ferromagnetic (FM) spin correlations in both the hole- and electron-doped BaFe 2 As 2 families of iron-pnictide superconductors by a Korringa ratio analysis. Motivated by the NMR work, we investigate the possible existence of FM fluctuations in another iron-pnictide superconducting family, Ca ( Fe 1 - x Co x ) 2 As 2 . We reanalyzed our previously reported data in terms of the Korringa ratio and found clear evidence for the coexistence of stripe-type AFM and FM spin correlations in the electron-doped CaFe 2 As 2 system. These NMR data indicate that FM fluctuations exist in general in iron-pnictide superconducting families and thus must be included to capture the phenomenology of the iron pnictides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic ground state of the one-dimensional ferromagnetic chain compounds M (NCS) 2 (thiourea) 2 (M=Ni,Co)

The magnetic properties of the two isostructural molecule-based magnets— Ni ( NCS ) 2 ( thiourea ) 2 , S = 1 [ thiourea = SC ( NH 2 ) 2 ] and Co ( NCS ) 2 ( thiourea ) 2 , S = 3 / 2 —are characterized using several techniques in order to rationalize their relationship with structural parameters and to ascertain magnetic changes caused by substitution of the spin. Zero-field heat capacity and muon-spin relaxation measurements reveal low-temperature long-range ordering in both compounds, in addition to Ising-like ( D < 0 ) single-ion anisotropy ( D Co ~ - 100 K, D Ni ~ - 10 K). Crystal and electronic structure, combined with dc-field magnetometry, affirm highly quasi-one-dimensional behavior, with ferromagnetic intrachain exchange interactions J Co ≈ + 4 K and J Ni ~ + 100 K and weak antiferromagnetic interchain exchange, on the order of J ' ~ - 0.1 K. Furthermore, electron charge- and spin-density mapping reveals through-space exchange as a mechanism to explain the large discrepancy in J -values despite, from a structural perspective, the highly similar exchange pathways in both materials. Both species can be compared to the similar compounds M Cl 2 ( thiourea ) 4 , M = Ni(II) (DTN) and Co(II) (DTC), where DTN is known to harbor two magnetic-field-induced quantum critical points. Direct comparison of DTN and DTC with the compounds studied here shows that substituting the halide Cl - ion for the NCS - ion results in a dramatic change in both the structural and magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Characterization of the Fe-Co-1.5V soft ferromagnetic alloy processed by Laser Engineered Net Shaping (LENS)

Processing of the low workability Fe-Co-1.5V (Hiperco® equivalent) alloy is demonstrated using the Laser Engineered Net Shaping (LENS) metals additive manufacturing technique. As an innovative and highly localized solidification process, LENS is shown to overcome workability issues that arise during conventional thermomechanical processing, enabling the production of bulk, near net-shape forms of the Fe-Co alloy. Bulk LENS structures appeared to be ductile with no significant macroscopic defects. Atomic ordering was evaluated and significantly reduced in as-built LENS specimens relative to an annealed condition, tailorable through selection of processing parameters. Fine equiaxed grain structures were observed in as-built specimens following solidification, which then evolved toward a highly heterogeneous bimodal grain structure after annealing. The microstructure evolution in Fe-Co is discussed in the context of classical solidification theory and selective grain boundary pinning processes. In conclusion, magnetic properties were also assessed and shown to fall within the extremes of conventionally processed Hiperco® alloys.

36 MATERIALS SCIENCE↗