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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spin excitations and dynamics in 2D magnets: An overview of magnons and magnetic skyrmions

van der Waals magnetic materials open up exciting possibilities to investigate fundamental spin properties in low-dimensional systems and to build compact functional spintronic structures. This review focuses on the recent progress in two-dimensional (2D) magnets that explore beyond the homogenous magnetically ordered state, including magnons (spin waves), magnetic skyrmions, and complex magnetic domains. Properties of these spin and topology excitations in 2D magnets provide insights into spin-orbit interactions and other forms of coupling between electrons, phonons, and spin-dependent excitations. Such spin-based quasiparticles can also serve as information carriers for next-generation high-speed computing elements. Furthermore, we will first lay out the general theoretical basis of dynamical responses in magnetic systems, followed by detailed descriptions of experimental progress in magnons and spin textures (including magnetic domains and skyrmions). Discussion on the experimental techniques and future perspectives are also included.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Spin Alignment of Vector Mesons in Heavy-Ion Collisions

Polarized quarks and antiquarks in high-energy heavy-ion collisions can lead to the spin alignment of vector mesons formed by quark coalescence. Here, using the relativistic spin Boltzmann equation for vector mesons derived from Kadanoff-Baym equations with an effective quark-meson model for strong interaction and quark coalescence model for hadronizaton, we calculate the spin density matrix element $ρ_{00}$ for Φ mesons and show that anisotropies of local field correlations with respect to the spin quantization direction lead to Φ meson's spin alignment. We propose that the local correlation or fluctuation of Φ fields is the dominant mechanism for the observed Φ meson's spin alignment and its strength can be extracted from experimental data as functions of collision energies. The calculated transverse momentum dependence of $ρ_{00}$ agrees with STAR's data. We further predict the azimuthal angle dependence of $ρ_{00}$ which can be tested in future experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Charge-Transfer States Enable Spin-Selective Formation of Quartet State Qudits in Luminescent Radical-Chromophore Dyads

Luminescent tris(2,4,6-trichlorophenyl)methyl (TTM) radicals are promising doublet emitters that have been used to generate spin-optical interfaces in molecular electron spin qudits. In particular, photoexcitation of covalent TTM-chromophore dyads can generate quartet spin states that can be detected via photoluminescence. However, the mechanism of quartet spin initialization is complicated by competing charge-transfer (CT) and energy-transfer (EnT) pathways between the radical and the chromophore. Here, we demonstrate the role of CT intermediates by engineering a covalent dyad of TTM and naphthalene-(1,4:5,8)-bis(dicarboximide) (NDI), a well-known electron acceptor chromophore. Transient absorption spectroscopy indicates that photoexcitation of TTM results in ultrafast electron transfer from 2* TTM to NDI, which kinetically outcompetes EnT. Electron paramagnetic resonance spectroscopy reveals that charge recombination proceeds via spin–orbit charge-transfer intersystem crossing to generate 3* NDI, followed by spin mixing with 2TTM to form the quartet state. Furthermore, this process uniquely spin-polarizes the quartet state, providing fundamental design principles to purify the initial wave function for quantum information processing.

Charge transfer↗
DOE OSTI2021

Quantum spin state transitions in the spin-1 equilateral triangular lattice antiferromagnet Na 2 BaNi(PO 4 ) 2

We report we have grown single crystals of Na 2 BaNi(PO 4 ) 2 , a spin-1 equilateral triangular lattice antiferromagnet (ETLAF), and performed magnetic susceptibility, specific heat, and thermal conductivity measurements at ultralow temperatures. The main results are as follows: (i) At zero magnetic field, Na 2 BaNi(PO 4 ) 2 exhibits a magnetic ordering at 430 mK with a weak ferromagnetic moment along the $\textit{c}$ axis. This suggests a canted 120° spin structure, which is in a plane including the crystallographic $\textit{c}$ axis due to the existence of an easy-axis anisotropy and ferromagnetically stacked along the $\textit{c}$ axis. (ii) With increasing field along the $\textit{c}$ axis, a 1/3 magnetization plateau is observed, which means that the canted 120° spin structure is transformed into an up-up-down (UUD) spin structure. With even higher fields, the UUD phase further evolves into possible V and V' phases. (iii) With increasing field along the $\textit{a}$ axis, the canted 120° spin structure is possibly transformed into an umbrella phase and a V phase. Therefore Na 2 BaNi(PO 4 ) 2 is a rare example of a spin-1 ETLAF with single-crystalline form that exhibits easy-axis spin anisotropy and a series of quantum spin state transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Reconstructing the spatial structure of quantum correlations in materials

Quantum correlations are a fundamental property of quantum many-body states. Yet they remain experimentally elusive, hindering certification of genuine quantum behavior, especially in quantum materials. Here we show that the momentum-dependent dynamical susceptibility measured via inelastic neutron scattering enables the systematic reconstruction of a general family of quantum correlation functions, which express the degree of quantum coherence in the fluctuations of two spins at an arbitrary mutual distance. Using neutron scattering data for the compound KCuF 3 —a system of weakly coupled S = 1 / 2 Heisenberg chains—and numerically exact quantum Monte Carlo data, we show that quantum correlations possess a radically different spatial structure with respect to conventional correlations. Indeed, they exhibit a different emergent length scale—the quantum coherence length—which is finite at any finite temperature (including when long-range magnetic order develops). Moreover, we show theoretically that coupled Heisenberg spin chains exhibit a form of quantum monogamy, with a trade-off between quantum correlations along and transverse to the spin chains. These results highlight real-space quantum correlators as an informative, model-independent means of probing the underlying quantum state of real quantum materials. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗
DOE OSTI2021

A perspective on two-dimensional van der Waals opto-spin-caloritronics

Two-dimensional (2D) van der Waals magnetic semiconductors displaying controllable ferromagnetism at room temperature form atomically sharp interfaces with various substrates. Such heterostructures create platforms for understanding spin-dependent phenomena across interfaces and surfaces for high-performance technological applications. Combining these 2D magnets with light and the spin Seebeck effect (SSE) in-state-of-the-art thermo-opto-spin studies forms a new paradigm in the field of spin-caloritronics that harnesses light as the new heat. In this Perspective, we detail how to exploit recent advances in 2D van der Waals materials to boost the SSE and propose a new strategy for optically controlled SSE in 2D magnetic semiconductor-based heterostructures with the intent to establish the research thrust of “opto-spin-caloritronics.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Superdiffusion from Nonabelian Symmetries in Nearly Integrable Systems

The Heisenberg spin chain is a canonical integrable model. As such, it features stable ballistically propagating quasiparticles, but spin transport is subballistic at any nonzero temperature: An initially localized spin fluctuation spreads in time t to a width t 2/3 . This exponent as well as the functional form of the dynamical spin correlation function suggest that spin transport is in the Kardar–Parisi–Zhang (KPZ) universality class. However, the full counting statistics of magnetization is manifestly incompatible with KPZ scaling. A simple two-mode hydrodynamic description, derivable from microscopic principles, captures both the KPZ scaling of the correlation function and the coarse features of the full counting statistics, but remains to be numerically validated. These results generalize to any integrable spin chain invariant under a continuous nonabelian symmetry and are surprisingly robust against moderately strong integrability-breaking perturbations that respect the nonabelian symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Ultra spin liquid in Lu 3 Cu 2 Sb 3 O 14

Abstract We analyze recent measurements of C / T , specific heat C divided by temperature T , of a recently observed ultra spin liquid. The measurements are carried out in magnetic fields on the triangular lattice compound . We show that the obtained heat capacity formed by the ultra spin liquid as a function of temperature T vs. magnetic field B behaves very similar to the electronic specific heat of the HF metal and the quantum magnet . We demonstrate that the effective mass of spinon exhibits the universal scaling coinciding with scaling observed in heavy-fermion (HF) metals and in . Based on these observations we conclude that a strongly correlated spin liquid determines the thermodynamic properties of the ultra spin liquid of .

Physics↗
DOE OSTI2025

Understanding the Existence of a Na 2 Dimer in a High-Spin State

The recent observation of a high-spin Na 2 dimer formed on the surface of liquid helium nanodroplets raises some fundamental questions, as the ground state of Na 2 is known to have zero spin. Is it protected against spontaneous dissociation? What is its binding energy and interatomic distance? Is it stable at a higher temperature? Using calculations based on density functional theory (with and without long-range interaction) and coupled cluster methods, CCSD(T), we show that the bonding in the high-spin Na 2 dimer is governed by van der Waals interaction with binding energy (bond length) varying between −0.030 eV (5.108 Å) and −0.192 eV (4.231 Å), depending on the computational method used. Thus, the experimental method used by Kresin and coworkers can be very useful to study larger metastable high-spin clusters such as Li 4 which was predicted in 1985 to have a tetrahedral structure carrying a magnetic moment of 2 μ B , while its ground state is planar and nonmagnetic.

Basis sets↗
DOE OSTI2022

Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe 3

Spin and lattice are two fundamental degrees of freedom in a solid, and their fluctuations about the equilibrium values in a magnetic ordered crystalline lattice form quasiparticles termed magnons (spin waves) and phonons (lattice waves), respectively. In most materials with strong spin-lattice coupling (SLC), the interaction of spin and lattice induces energy gaps in the spin wave dispersion at the nominal intersections of magnon and phonon modes. Here we use neutron scattering to show that in the two-dimensional (2D) van der Waals honeycomb lattice ferromagnetic CrGeTe 3 , spin waves propagating within the 2D plane exhibit an anomalous dispersion, damping, and breakdown of quasiparticle conservation, while magnons along the c axis behave as expected for a local moment ferromagnet. These results indicate the presence of dynamical SLC arising from the zero-temperature quantum fluctuations in CrGeTe 3 , suggesting that the observed in-plane spin waves are mixed spin and lattice quasiparticles fundamentally different from pure magnons and phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Collapsar Gamma-Ray Bursts Grind Their Black Hole Spins to a Halt

Abstract The spin of a newly formed black hole (BH) at the center of a massive star evolves from its natal value due to two competing processes: accretion of gas angular momentum that increases the spin and extraction of BH angular momentum by outflows that decreases the spin. Ultimately, the final, equilibrium spin is set by a balance between both processes. In order for the BH to launch relativistic jets and power aγ-ray burst (GRB), the BH magnetic field needs to be dynamically important. Thus, we consider the case of a magnetically arrested disk (MAD) driving the spin evolution of the BH. By applying the semianalytic MAD BH spin evolution model of Lowell et al. to collapsars, we show that if the BH accretes ∼20% of its initial mass, its dimensionless spin inevitably reaches small values,a≲ 0.2. For such spins, and for mass accretion rates inferred from collapsar simulations, we show that our semianalytic model reproduces the energetics of typical GRB jets,L jet ∼ 10 50 erg s −1 . We show that our semianalytic model reproduces the nearly constant power of typical GRB jets. If the MAD onset is delayed, this allows powerful jets at the high end of the GRB luminosity distribution,L jet ∼ 10 52 erg s −1 , but the final spin remains low,a≲ 0.3. These results are consistent with the low spins inferred from gravitational wave detections of binary BH mergers. In a companion paper by Gottlieb et al., we use GRB observations to constrain the natal BH spin to bea≃ 0.2.

Astronomy & Astrophysics↗
DOE OSTI2024

Regulation of Side‐Chain Symmetry for Delaying Triplet Formation and Suppressing Non‐Radiative Loss in Organic Solar Cells

Abstract The structural revolutions of non‐fullerene acceptors (NFAs) have driven continuous efficiency breakthroughs in organic solar cells (OSCs). Rational regulation of NFA structures toward efficient exciton dissociation and mitigated non‐radiative recombination is pivotal for OSCs. The incorporation of asymmetric side chains on NFAs can often achieve these goals by inducing a desirable aggregate state. However, it lacks the studies to directly correlate the side‐chain symmetry of NFAs with the exciton delocalization and triplet dynamics in OSCs. Herein, The influence of structural symmetry on the aggregate properties is systematically investigated and exciton/charge dynamics based on two developed biaxial‐conjugated NFAs with varied side‐chain symmetry. The symmetric NFA having diverse molecular packing orientations can form multiple charge transfer channels in its blend with polymer donor, which cannot be found in that comprising the asymmetric ones. Moreover, a slower rate and lower ratio of the spin‐triplet state are formed in the blend of symmetric NFA, resulting in a much lower non‐radiative voltage loss in corresponding OSCs. This study reveals the distinct advantages of symmetric NFAs in both aggregate properties and exciton/charge dynamics over those of asymmetric ones, paving the way for developing high‐performance OSCs using easier‐to‐prepare, low‐cost symmetric materials.

Chemistry↗
DOE OSTI2021

Unconventional supercurrent phase in Ising superconductor Josephson junction with atomically thin magnetic insulator

Abstract In two-dimensional (2D) NbSe 2 crystal, which lacks inversion symmetry, strong spin-orbit coupling aligns the spins of Cooper pairs to the orbital valleys, forming Ising Cooper pairs (ICPs). The unusual spin texture of ICPs can be further modulated by introducing magnetic exchange. Here, we report unconventional supercurrent phase in van der Waals heterostructure Josephson junctions (JJs) that couples NbSe 2 ICPs across an atomically thin magnetic insulator (MI) Cr 2 Ge 2 Te 6 . By constructing a superconducting quantum interference device (SQUID), we measure the phase of the transferred Cooper pairs in the MI JJ. We demonstrate a doubly degenerate nontrivial JJ phase ( ϕ ), formed by momentum-conserving tunneling of ICPs across magnetic domains in the barrier. The doubly degenerate ground states in MI JJs provide a two-level quantum system that can be utilized as a new dissipationless component for superconducting quantum devices. Our work boosts the study of various superconducting states with spin-orbit coupling, opening up an avenue to designing new superconducting phase-controlled quantum electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Deciphering and Manipulating Low Dimensional Magnetism

This program investigates the electronic structure and collective quantum phenomena of correlated magnetic materials using advanced angle-resolved photoemission spectroscopy (ARPES) and complementary probes, with a focus on three interrelated material families: (i) the semiconducting van der Waals magnet Cr₂Ge₂Te₆, (ii) metallic Fe-based van der Waals magnets including Fe₃GeTe₂ Fe₃GaTe₂, and Fe5GeTe₂, and (iii) kagome magnets such as FeGe, FeSn, and CsV₃Sb₅/CsCr₃Sb₅. In Cr₂Ge₂Te₆, our work established how spin excitations develop across a dimensional crossover as spins establish correlation to form long range order, providing a clean platform to isolate correlation effects. In metallic Fe-based magnets, we uncovered the dichotomy between flat and dispersive bands, revealed momentum-dependent electronic reconstructions tied to magnetic order, and demonstrated reversible, non-volatile electronic switching near room temperature, highlighting the strong coupling among spin, charge, and lattice degrees of freedom in metallic ferromagnets. In kagome magnets, we identified charge density wave formation, symmetry breaking, flat-band renormalization, and field-induced momentum-dependent electronic anisotropy, elucidating how geometric frustration and electronic correlations conspire to generate emergent quantum states. Collectively, these results establish a unified microscopic framework for understanding correlation-driven electronic reconstruction, symmetry breaking, and collective order across semiconducting and metallic magnetic systems, advancing DOE mission goals in quantum materials discovery and control.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Reactivity, Regioselectivity, and Synthetic Application of 2-Pyrenyl Units in Scholl Reactions

We herein report the reactivity and regioselectivity of 2-pyrenyl as a coupling unit in Scholl reactions. On the basis of the Scholl reactions of hexaarylbenzene substrates, we have found that pyrenyl units are preferably oxidized over naphthyl and phenyl units under appropriate Scholl reaction conditions, allowing divergent synthesis through a highly controllable intramolecular coupling sequence. We find that the C1 and C3 positions of the 2-pyrenyl unit are the favorable sites for intramolecular coupling while C4 is not reactive to allow further coupling. The reactivity and regioselectivity pattern can be explained by the spin density distribution, which shows that carbon–carbon bonds preferably form at sites with higher positive spin density. Guided by these findings, we successfully synthesized a double helicene and a sextuple helicene through the controlled Scholl reactions of 2-pyrenyl units.

Scholl reactions↗
DOE OSTI2023

Facile and dynamic cleavage of every iron–sulfide bond in cuboidal iron–sulfur clusters

Nature employs weak-field metalloclusters to support a wide range of biological processes. The most ubiquitous metalloclusters are the cuboidal Fe–S clusters, which are comprised of Fe sites with locally high-spin electronic configurations. Such configurations enhance rates of ligand exchange and imbue the clusters with a degree of structural plasticity that is increasingly thought to be functionally relevant. Here, we examine this phenomenon using isotope tracing experiments. Specifically, we demonstrate that synthetic [Fe 4 S 4 ] and [MoFe 3 S 4 ] clusters exchange their Fe atoms with Fe 2+ ions dissolved in solution, a process that involves the reversible cleavage and reformation of every Fe–S bond in the cluster core. This exchange is facile—in most cases occurring at room temperature on the timescale of minutes—and documented over a range of cluster core oxidation states and terminal ligation patterns. In addition to suggesting a highly dynamic picture of cluster structure, these results provide a method for isotopically labeling pre-formed clusters with spin-active nuclei, such as 57 Fe. Such a protocol is demonstrated for the radical S -adenosyl- l -methionine enzyme, RlmN.

Science & Technology - Other Topics↗
DOE OSTI2022

Molecular qubits based on photogenerated spin-correlated radical pairs for quantum sensing

Photogenerated spin-correlated radical pairs (SCRPs) in electron donor–bridge–acceptor (D–B–A) molecules can act as molecular qubits and inherently spin qubit pairs. SCRPs can take singlet and triplet spin states, comprising the quantum superposition state. Their synthetic accessibility and well-defined structures, together with their ability to be prepared in an initially pure, entangled spin state and optical addressability, make them one of the promising avenues for advancing quantum information science. Coherence between two spin states and spin selective electron transfer reactions form the foundation of using SCRPs as qubits for sensing. We can exploit the unique sensitivity of the spin dynamics of SCRPs to external magnetic fields for sensing applications including resolution-enhanced imaging, magnetometers, and magnetic switch. Molecular quantum sensors, if realized, can provide new technological developments beyond what is possible with classical counterparts. While the community of spin chemistry has actively investigated magnetic field effects on chemical reactions via SCRPs for several decades, we have not yet fully exploited the synthetic tunability of molecular systems to our advantage. This review offers an introduction to the photogenerated SCRPs-based molecular qubits for quantum sensing, aiming to lay the foundation for researchers new to the field and provide a basic reference for researchers active in the field. We focus on the basic principles necessary to construct molecular qubits based on SCRPs and the examples in quantum sensing explored to date from the perspective of the experimentalist.

Mani, Tomoyasu (ORCID:0000000241255195)↗
DOE OSTI2022

The Odd Dark Matter Halos of Isolated Gas-rich Ultradiffuse Galaxies

Abstract We analyze circular velocity profiles of seven ultradiffuse galaxies (UDGs) that are isolated and gas-rich. Assuming that the dark matter halos of these UDGs have a Navarro–Frenk–White (NFW) density profile or a Read density profile (which allows for constant-density cores), the inferred halo concentrations are systematically lower than the cosmological median, even as low as −0.6 dex (about 5 σ away) in some cases. Alternatively, similar fits can be obtained with a density profile that scales roughly as 1/ r 2 for radii larger than a few kiloparsecs. Both solutions require the radius where the halo circular velocity peaks ( R max ) to be much larger than the median expectation. Surprisingly, we find an overabundance of such large- R max halos in the IllustrisTNG dark-matter-only simulations compared to the Gaussian expectation. These halos form late and have higher spins compared to median halos of similar masses. The inner densities of the most extreme among these late-forming halos are higher than their NFW counterparts, leading to a ∼1/ r 2 density profile. However, the two well-resolved UDGs in our sample strongly prefer lower dark matter densities in the center than the simulated ones. Comparing to IllustrisTNG hydrodynamical simulations, we also find a tension in getting both low enough circular velocities and high enough halo mass to accommodate the measurements. Our results indicate that the gas-rich UDGs present a significant challenge for galaxy formation models.

79 ASTRONOMY AND ASTROPHYSICS↗