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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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563 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Strong Kitaev Interaction in BaCo 2⁢ (AsO 4 ) 2

The inelastic neutron scattering results and their analysis unequivocally point to a dominant Kitaev interaction in the honeycomb-lattice cobaltate BaCo 2 ⁢(AsO 4 ) 2 . Our anisotropic-exchange model closely describes all available neutron scattering data in the material’s field-polarized phase. Furthermore, the density-matrix renormalization group results for our model are in close accord with the unusual double-zigzag magnetic order and the low in-plane saturation field of BaCo 2 ⁢(AsO 4 ) 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Interfacial magnetization enhancement and the perpendicularly magnetized component in Fe16N2 thin films

A detailed study of depth-resolved magnetization and microstructure of Fe16N2 thin films on MgO (001) and MgAl2O4 (001) substrates and Fe and Cr seed layers is presented. Two aspects of the magnetic properties of Fe16N2 thin films are discussed. First, magnetization enhancement at the interface is observed. Strain and nitrogen deficiency are discussed as possible interfacial mechanisms contributing to this enhancement. Second, the perpendicularly magnetized component (PMC) is identified in Fe16N2 thin films. Correlation with microstructural observations suggests that the PMC is associated with V-shaped grains that are not fully confined within the continuous Fe16N2 layer.

Hang, Xudong [University of Minnesota]↗
DOE OSTI2024

Circumventing data imbalance in magnetic ground state data for magnetic moment predictions

Abstract Magnetic materials play a crucial role in the transition to more sustainable forms of energy and electric vehicles. There is an anticipated shortage in magnetic materials in the future, and as a result there is an urgent need to discover and design new magnetic materials. Computational magnetic material design using density functional theory is daunting because of the challenge in identifying magnetic ground states from a combinatorially large set of possibilities. Machine learning offers a path forward by enabling efficient surrogate models that can more readily enumerate these states, but there is a dearth of training data available, and what is available tends to be imbalanced with too much non-magnetic data. In this work we show that the discrete and previously tackled data imbalance that exists at the level of the magnetic ordering leads to an imbalanced continuous distribution with many zeros when the data is unraveled at the atomic magnetic moment level, which subsequently leads to models with low accuracy for magnetic properties. We mitigate this by using a two-part model framework. Our scheme is able to classify atoms into magnetic and non-magnetic with an F1 score and Matthew’s correlation coefficient (MCC) of ~91% and then to provide an implicit embedding representation that maps directly onto the magnitude of the magnetic moment with a mean absolute error of 0.1 μ B . Beyond screening for new magnetic materials, we demonstrate an additional practical use case of our scheme: the provision of good initial guesses for magnetic moments in first-principles electronic relaxations. Such initialization is shown to lead to faster convergence to configurations that lie closer to the ground state.

Computer Science↗
DOE OSTI2026

Excitons in van der Waals magnetic materials

Two-dimensional magnetic semiconductors provide a unique platform where long-range magnetic order coexists with strongly bound excitons. Because excitonic states and magnetic moments originate from the same electronic orbitals and couple via intrinsic exchange interactions, optical excitations in these systems exhibit pronounced sensitivity to magnetic order. Recent experiments show unusually strong magneto-optical responses and direct exciton–magnon coupling, establishing new routes for controlling light–matter interactions with spin degrees of freedom. Here, this Review surveys key developments, focusing on representative material systems, experimental signatures, and theoretical frameworks used to describe these phenomena. We conclude with perspectives on how this rapidly evolving field could enable next-generation optoelectronic and quantum technologies leveraging the coupled dynamics of light, charge and spin.

36 MATERIALS SCIENCE↗
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 OSTI2025

Twist Engineering of Anisotropic Excitonic and Optical Properties of a Two-Dimensional Magnetic Semiconductor

Two-dimensional (2D) van der Waals (vdW) magnetic semiconductors are a new class of quantum materials for studying the emergent physics of excitons and spins in the 2D limit. Twist engineering provides a powerful tool to manipulate the fundamental properties of 2D vdW materials. Here, in this work, we show that twist engineering of the anisotropic ferromagnetic monolayer semiconductor CrSBr leads to bilayer magnetic semiconductors with continuously tunable magnetic moment, dielectric anisotropy, exciton energy, and linear dichroism. We furthermore provide a model for exciton energy in the media with tunable anisotropy. These results advance fundamental studies of 2D vdW materials and open doors to applications to nano-optics, twistronics, and spintronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetically Arrested Circumbinary Accretion Flows

Abstract Binary systems with comparable masses and a surrounding accretion disk can accrete gas through spiral accretion streams penetrating the central cavity formed by tidal interactions. Using three-dimensional Newtonian magnetohydrodynamics simulations, we investigate the possibility of a magnetically arrested accretion flow through the cavity. Rather than solely continuously feeding the binary through spiral accretion streams, the accretion is regulated by the strong magnetic field inside the cavity. Transport of mass and angular momentum onto the binary then proceeds largely periodically in magnetic flux eruption episodes. The ejected flux tubes carry angular momentum outward and away from the binary, inject hot plasma into the disk, and can launch flares. This likely intermittent scenario could have potential implications for the emission signatures of supermassive black hole binaries and shed light onto the role magnetic fields play in the binary’s orbital evolution.

Astronomy & Astrophysics↗
DOE OSTI2026

Anisotropic multi- Q order in Co x TaS 2

The cobalt-intercalated transition metal dichalcogenide Co x TaS 2 hosts a rich landscape of magnetic phases that depend sensitively on x. While the stoichiometric compound with x = 1/3 exhibits a single magnetic transition, samples with x≤0.325 display two transitions with an anomalous Hall effect (AHE) emerging in the lower temperature phase. Here, we resolve the spin structure in each phase by employing a suite of magneto-optical probes that include the discovery of anomalous magneto-birefringence: a spontaneous time-reversal sensitive rotation of the principal optic axes. A symmetry-based analysis identifies the AHE-active phase as an anisotropic (2+1)Q state, in which magnetic modulation at one wavevector (Q) differs in symmetry from that at the remaining two. The (2+1)Q state naturally exhibits scalar spin chirality as a mechanism for the AHE and expands the classification of multi-Q magnetic phases.

Kruppe, Jonathon [University of California, Berkel↗
DOE OSTI2025

Effect of magnetic fields on Urca rates in neutron star mergers

Isospin-equilibrating weak processes, called “Urca” processes, are of fundamental importance in astrophysical environments like (proto-)neutron stars, neutron star mergers, and supernovae. In these environments, matter can reach high temperatures of tens of MeVs and be subject to large magnetic fields. We thus investigate Urca rates at different temperatures and field strengths by performing the full temperature and magnetic-fielddependent rate integrals for different equations of state. We find that the magnetic fields play an important role at temperatures of a few MeV, especially close to or below the direct Urca threshold, which is softened by the magnetic field. At higher temperatures, the effect of the magnetic fields can be overshadowed by the thermal effects. Finally, we observe that the magnetic field influences the neutron decay rates more strongly than the electron-capture rates, leading to a shift in the flavor equilibrium.

electroweak interactions in nuclear physics↗
DOE OSTI2026

Magnetism and magnetoelastic effect in the two-dimensional van der Waals multiferroic CuCrP 2 ⁢S 6

Here, we report a magnetic and neutron diffraction study on the ground state magnetism and field evolution of single-crystal van der Waals multiferroic CuCrP 2 ⁢S 6 . The ordered moments align along the 𝑏 axis in the "𝐴-type" antiferromagnetic configuration with a spin-flop transition along the same direction. Field application along 𝑎 introduces a smooth transition to a fully polarized ferromagnetic state via in-plane spin rotation. These findings resolve the ambiguity of the ground state magnetization direction in CuCrP 2 ⁢S 6 and uncover its field responses, providing a firm basis for future magnetoelectric study. A magnetoelastic coupling effect connecting the interlayer spacing and the magnetic order was further revealed, highlighting the out-of-plane strain as an effective control knob for tuning magnetism both in this system and in related van der Waals magnets.

Guo, Jiasen [Oak Ridge National Laboratory (ORNL),↗