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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Higher-order Van Hove singularities in kagome topological bands

Motivated by the growing interest in band structures featuring higher-order Van Hove singularities (HOVHS), we investigate a spinless fermion kagome system characterized by nearest-neighbor (NN) and next-nearest-neighbor (NNN) hopping amplitudes. While NN hopping preserves time-reversal symmetry, NNN hopping, akin to chiral hopping on the Haldane lattice, breaks time-reversal symmetry and leads to the formation of topological bands with Chern numbers ranging from 𝐶 = ±1 to ±4. We perform analytical and numerical analysis of the energy bands near the high-symmetry points Γ, ±𝐊, and 𝐌 𝑖 (𝑖 = 1, 2, and 3), which uncover a rich and complex landscape of HOVHS, controlled by the magnitude and phase of the NNN hopping. We observe power-law divergences in the density of states (DOS), 𝜌⁡(𝜀)∼|𝜀| −𝜈 , with exponents 𝜈 = 1/2, 1/3, 1/4, which can significantly affect the anomalous Hall response at low temperatures when the Fermi level crosses the HOVHS. Additionally, the NNN hopping induces the formation of higher Chern number bands 𝐶 = ±2, ±4 in the middle of the spectrum obeying a sublattice interference whereupon electronic states are maximally localized in each of the sublattices when the momentum approaches the three high-symmetry points 𝐌 𝑖 (𝑖 = 1, 2, and 3) on the Brillouin zone boundary. Finally, this classification of HOVHS in kagome systems provides a platform to explore unconventional electronic orders induced by electronic correlations.

Chern insulators↗
DOE OSTI2025

Photoredox Catalysis with Spin Magnetic Field Effects: A Scheme for Chiral Resolution

Quantities that break both mirror symmetry and time-reversal symmetry, such as the orbital angular momentum, are known to connect molecular chirality with an applied magnetic field. This concept has led to observations such as magneto-chiral dichroism and chirality-induced spin selectivity (CISS). However, being small, these effects often require additional amplification procedures such as flow chemistry to achieve bulk enantioseparation. In this work, we demonstrate how the magnetic field effect on photogenerated radical pairs, which also breaks time-reversal symmetry, can be harnessed for enantiopurification. Fundamental to this process is the collective decay of the singlet and triplet radical-pair states made possible by an applied magnetic field. Because opposite enantiomers exhibit spin-orbit coupling matrix elements of opposite signs, the singlet and triplet decay channels interfere constructively in one enantiomer. Meanwhile, molecules of the other enantiomer are funnelled into the first enantiomer through excited-state chirality inversion, achieving (dynamic kinetic) chiral resolution. Using an axially chiral binaphthyl derivative and a borane photosensitizer as prototype, we predict an appreciable enantiomeric excess (e.e.) of 90% to be possible at steady state, attained within hundreds of milliseconds when irradiated by a laser. Importantly, our analytical results showcase regimes of perfect enantioselectivity (100% e.e.), accessible by further chemical optimization of the photosensitizer for which general strategies are discussed. Altogether, this work illustrates a so-far untapped but powerful control knob for photoredox catalysis based on spin chemistry principles.

Magnetic properties↗
DOE OSTI2026

$\mathscr{PT}$ symmetry enforced twin exchange as the origin of chirality-induced spin selectivity

Chiral molecules, ubiquitous in chemistry and biology, can differentiate electrons by their spin, a phenomenon known as chirality-induced spin selectivity (CISS). Despite its robustness and technological relevance, CISS has resisted conventional explanation: Spin-orbit coupling (SOC) models cannot fully account for the observed magnitude, room-temperature persistence, or equilibrium signatures. Here, we argue that structural chirality enforces a twin-pair exchange mechanism via the indistinguishability principle, which intrinsically couples spin and spatial degrees of freedom such that wave functions cannot be factorized into spin and spatial components. We derive an effective Hamiltonian that describes both transport and equilibrium CISS phenomena and is non-Hermitian. However, the inherent pseudo-Hermiticity, with $\mathscr{PT}$ symmetry as a special case, ensures real eigenvalues and thermodynamic consistency. We demonstrate that our framework is a step toward resolving long-standing anomalies of CISS. It situates CISS alongside equilibrium symmetry-breaking phenomena such as ferromagnetism and superconductivity, with implications for spintronics, catalysis, and the origins of biological homochirality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Current algebra approach to two-dimensional interacting chiral metals

In this study, we reinterpret the chiral U(N) Wess-Zumino-Witten (WZW) model at level k>1 in (1+1) dimensions as an interacting chiral metal in two space dimensions. In this reinterpretation, spatial translations along one of the spatial dimensions in the two-dimensional chiral metal arise from a generator of the U(N) symmetry of the WZW model. The WZW model at k=1 is equivalent to Balents and Fisher's free chiral metal. Here, the U(N) symmetry corresponds to the IR symmetry of a chiral Fermi gas with (half of a) Fermi surface, with N equal to the number of points on the Fermi surface. We argue that exactly solvable interacting generalizations occur for levels k>1. Importantly, these interacting chiral metals maintain the U(N) symmetry of the free system. We calculate two-point correlation functions of the single-particle fermion operator, the U⁡(1) number density, and current operators in these theories for general k. We find that interactions (k>1) produce 1/N corrections to scaling of the single-particle fermion operator as N→∞ and renormalize the amplitudes of the density and current two-point functions. This construction illustrates the ersatz Fermi liquid proposal of Else et al.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

A chiral switchable photovoltaic ferroelectric 1D perovskite

Spin and valley degrees of freedom in materials without inversion symmetry promise previously unknown device functionalities, such as spin-valleytronics. Control of material symmetry with electric fields (ferroelectricity), while breaking additional symmetries, including mirror symmetry, could yield phenomena where chirality, spin, valley, and crystal potential are strongly coupled. Here we report the synthesis of a halide perovskite semiconductor that is simultaneously photoferroelectricity switchable and chiral. Spectroscopic and structural analysis, and first-principles calculations, determine the material to be a previously unknown low-dimensional hybrid perovskite (R)-(-)-1-cyclohexylethylammonium/(S)-(+)-1 cyclohexylethylammonium) PbI 3 . Optical and electrical measurements characterize its semiconducting, ferroelectric, switchable pyroelectricity and switchable photoferroelectric properties. Temperature dependent structural, dielectric and transport measurements reveal a ferroelectric-paraelectric phase transition. Circular dichroism spectroscopy confirms its chirality. The development of a material with such a combination of these properties will facilitate the exploration of phenomena such as electric field and chiral enantiomer–dependent Rashba-Dresselhaus splitting and circular photogalvanic effects

36 MATERIALS SCIENCE↗
DOE OSTI2026

The superconducting diode effect in Josephson junctions fabricated from a structurally chiral superconductor

The superconducting diode effect occurs in superconducting materials in which both time-reversal and inversion symmetry are broken. The recently observed chirality-induced spin selectivity effect demonstrates that chiral materials break both symmetries. Thus, a Josephson junction interface with the left-handed structure on one side of the junction and the right-handed structure on the other should exhibit a diode effect. Here, we report the electrical transport properties of right-handed/left-handed and right-handed/right-handed devices fabricated from single crystals of the structurally chiral superconductor Mo 3 Al 2 C. Fraunhofer-like magnetic diffraction patterns confirm the presence of the Josephson effect in all but one of our devices. A magnetic-field-induced superconducting diode effect is demonstrated in the right-handed/left-handed devices by a statistically significant difference in I c + and ∣ I c −∣, with a maximum asymmetry of 5%. The intrinsic superconducting diode effect is not observed in the right-handed/right-handed devices. We provide an explanation for the presence of the superconducting diode effect in the right-handed/left-handed devices.

superconducting devices↗
DOE OSTI2024

Gravitational wave signatures of a chiral fermion dark matter model

Abstract Theories in which the dark matter (DM) candidate is a fermion transforming chirally under a gauge symmetry are attractive, as the gauge symmetry would protect the DM mass. In such theories, the universe would have undergone a phase transition at early times that generated the DM mass upon spontaneous breaking of the gauge symmetry. In this paper, we explore the gravitational wave signals of a simple such theory based on an SU(2) D dark sector with a dark isospin-3/2 fermion serving as the DM candidate. This is arguably the simplest chiral theory possible. The scalar sector consists of a dark isospin-3 multiple, which breaks the SU(2) D gauge symmetry and also generates the DM mass. We construct the full thermal potential of the model and identify regions of parameter space which lead to detectable gravitational wave signals, arising from a strong first-order SU(2) D phase transition, in various planned space-based interferometers, while also being consistent with dark matter relic abundance. The bulk of the parameter space exhibiting detectable gravitational wave signals in the model also has large WIMP-nucleon scattering cross sections, ℴSI, which could be probed in upcoming direct detection experiments.

Astronomy & Astrophysics↗
DOE OSTI2020

Time resolved electrical, optical, and thermal probes of topological spin textures in magnetic nanostructures

This project is a fundamental study of magnetization dynamics in nanoscale spin textures with topological properties. One example is magnetic skyrmions that form in chiral ferromagnetic material systems that lack inversion symmetry. We have concentrated on the scalable chiral magnetic metal B20 FeGe thin film that has an asymmetric exchange interaction due to non-centrosymmetric cubic lattice. While the asymmetric exchange interaction can be found at the interface of a ferromagnet and a heavy metal, manipulation of skyrmions at these interfaces is non-trivial due to pinning and it requires higher critical current. In contrast, B20 materials such as FeGe have superior material quality to offer pinning-free and low-current skyrmion motion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Magnetic photocurrents in multifold Weyl fermions

Here, we examine the magneto-optical response of chiral multifold fermions. Specifically, we show that they are ideal candidates for observing the helical magnetic effect (HME) previously predicted for simple Weyl fermions. Unlike Weyl fermions, the HME is present in multifold fermions even in the simplest case where the low-energy dispersion is linear and spherically symmetric. In this ideal case, we derive an analytical expression for the HME and find it is proportional to the circular photogalvanic effect; for realistic parameters and accounting for the geometry of the setup, the HME photocurrent could be roughly the same order of magnitude as the circular photogalvanic effect observed in multifold fermions. Additional nonlinear and symmetry-breaking terms will ruin the quantization but not hurt the observation of the HME.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Exploring few and single layer CrPS 4 with near-field infrared spectroscopy

Abstract We combine synchrotron-based near-field infrared spectroscopy and first principles lattice dynamics calculations to explore the vibrational response of CrPS 4 in bulk, few-, and single-layer form. Analysis of the mode pattern reveals a C 2 polar + chiral space group, no symmetry crossover as a function of layer number, and a series of non-monotonic frequency shifts in which modes with significant intralayer character harden on approach to the ultra-thin limit whereas those containing interlayer motion or more complicated displacement patterns soften and show inflection points or steps. This is different from MnPS 3 where phonons shift as 1/size 2 and are sensitive to the three-fold rotation about the metal center that drives the symmetry crossover. We discuss these differences as well as implications for properties such as electric polarization in terms of presence or absence of the P–P dimer and other aspects of local structure, sheet density, and size of the van der Waals gap.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Odd Diffusivity of Chiral Random Motion

Diffusive transport is characterized by a diffusivity tensor which may, in general, contain both a symmetric and an antisymmetric component. Although the latter is often neglected, we derive Green-Kubo relations showing it to be a general characteristic of random motion breaking time-reversal and parity symmetries, as encountered in chiral active matter. In analogy with the odd viscosity appearing in chiral active fluids, we term this component the odd diffusivity. Furthermore, we show how odd diffusivity emerges in a chiral random walk model, and demonstrate the applicability of the Green-Kubo relations through molecular dynamics simulations of a passive tracer particle diffusing in a chiral active bath.

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

Equilibrium spin polarization arising from chirality

Chirality-induced spin selectivity (CISS) describes how chiral molecules and materials generate spin polarization even at thermal equilibrium. This observation has challenged established principles of microscopic reversibility and Onsager reciprocity. We resolve this paradox by formulating a pseudo-Hermitian quantum framework that separates thermodynamic equilibrium from time-reversal symmetry. Within this approach, structural chirality and electron correlations, irrespective of their microscopic origin, are sufficient to produce CISS observables. Chirality enters through a non-local metric η that couples spin and spatial motion, leading to real spectra, unitary evolution, and thermodynamic consistency. The framework predicts a chirality-induced spin magnetic ordering characterized by a spin-displacement order, which reconciles equilibrium spin polarization with detailed balance and explains the persistence of CISS in materials composed of light elements. We derive generalized Onsager-Casimir relations that respect the observed CISS symmetry, i.e., parity $(\mathscr{P})$-odd and time-reversal $(\mathscr{T})$-odd, but exhibiting $\mathscr{PT}$-even symmetry. This approach establishes a coherent foundation for equilibrium CISS and provides a route to link chemical chirality with measurable spin-to-charge conversion effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Anomalous U ( 1 ) A couplings and the Columbia plot

When the quark masses are lighter than those in QCD, the standard lore is that a chiral transition of first order must emerge for three light flavors. Recently, however, numerical simulations on the lattice suggest that the chiral transition is of second order in the chiral limit. Using an extended linear sigma model in the mean field approximation, we study the relation between terms which break the anomalous, U ( 1 ) A symmetry and the order of the chiral phase transition, especially how a chiral transition of second order can arise for three massless flavors. We note that in an (unphysical) region of the “Columbia” phase diagram, when the strange quark mass is light and negative, corresponding to topological angle θ = π , the C P symmetry is spontaneously broken. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Remote chirality transfer in low-dimensional hybrid metal halide semiconductors

In hybrid metal halide perovskites, chiroptical properties typically arise from structural symmetry breaking by incorporating a chiral A-site organic cation within the structure, which may limit the compositional space. Here we demonstrate highly efficient remote chirality transfer where chirality is imposed on an otherwise achiral hybrid metal halide semiconductor by a proximal chiral molecule that is not interspersed as part of the structure yet leads to large circular dichroism dissymmetry factors (g CD ) of up to 10-2. Density functional theory calculations reveal that the transfer of stereochemical information from the chiral proximal molecule to the inorganic framework is mediated by selective interaction with divalent metal cations. Anchoring of the chiral molecule induces a centro-asymmetric distortion, which is discernible up to four inorganic layers into the metal halide lattice. Additionally, this concept is broadly applicable to low-dimensional hybrid metal halides with various dimensionalities (1D and 2D) allowing independent control of the composition and degree of chirality.

14 SOLAR ENERGY↗
DOE OSTI2020

Radial Spin Texture of the Weyl Fermions in Chiral Tellurium

Trigonal tellurium, a small-gap semiconductor with pronounced magneto-electric and magneto-optical responses, is among the simplest realizations of a chiral crystal. We have studied by spin- and angle-resolved photoelectron spectroscopy its unconventional electronic structure and unique spin texture. We identify Kramers-Weyl, composite, and accordionlike Weyl fermions, so far only predicted by theory, and show that the spin polarization is parallel to the wave vector along the lines in k space connecting high-symmetry points. Our results clarify the symmetries that enforce such spin texture in a chiral crystal, thus bringing new insight in the formation of a spin vectorial field more complex than the previously proposed hedgehog configuration. Our findings thus pave the way to a classification scheme for these exotic spin textures and their search in chiral crystals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Nuclear and neutron-star matter from local chiral interactions [Slides]

We use quantum Monte Carlo (QMC) methods to perform exact ab-initio calcula1ons of the nuclear equation of state (EOS) and the symmetry energy. We employ local chiral interactions up to next-to-next-to leading (N 2 LO) fit to few-body observables only, and provide a comprehensive uncertainty quantifica1on.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Magnetic Properties and Large Second-Harmonic Generation Response of a Chiral Ternary Chalcogenide: Eu 2 SiSe 4

Eu(II)-containing chalcogenides are an emerging class of materials that are of great interest due to their high optical activity and intriguing magnetism. Here, we synthesized Eu 2 SiSe 4 as red-colored single crystals and characterized its structure with single-crystal X-ray diffraction, confirming the reported chiral monoclinic P2 1 symmetry at room temperature. The crystal structure of Eu 2 SiSe 4 comprises distorted SiSe 4 tetrahedral units and charge-balancing Eu(II) cations. Here, we develop a two-step solid-state synthesis method for Eu 2 SiSe 4 and compare it to the known boron chalcogenide method. We find the second-harmonic generation (SHG) activity of polycrystalline Eu 2 SiSe 4 to be ∼7 × AgGaS 2 , placing it among the highest-known SHG-active chalcogenides. No symmetry lowering is observed down to 100 K in single-crystal X-ray diffraction, although an anomalous expansion in the b-axis lattice parameter occurs and may be correlated to lattice modes of the SiSe 4 tetrahedra. We investigate the physical properties of Eu 2 SiSe 4 using magnetometry and heat capacity measurements and find a transition to an antiferromagnetic ground state at T N ≈ 5.5 K. The low-temperature transition releases less entropy than expected, which may be due to the complex crystal electric field effects of Eu(II).

36 MATERIALS SCIENCE↗