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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 73 records · Page 4

Uncovering spin-orbit coupling-independent hidden spin polarization of energy bands in antiferromagnets

Abstract Many textbook physical effects in crystals are enabled by some specific symmetries. In contrast to such ‘apparent effects’, ‘hidden effect X’ refers to the general condition where the nominal global system symmetry would disallow the effect X, whereas the symmetry of local sectors within the crystal would enable effect X. Known examples include the hidden Rashba and/or hidden Dresselhaus spin polarization that require spin-orbit coupling, but unlike their apparent counterparts are demonstrated to exist in non-magnetic systems even in inversion-symmetric crystals. Here, we discuss hidden spin polarization effect in collinear antiferromagnets without the requirement for spin-orbit coupling (SOC). Symmetry analysis suggests that antiferromagnets hosting such effect can be classified into six types depending on the global vs local symmetry. We identify which of the possible collinear antiferromagnetic compounds will harbor such hidden polarization and validate these symmetry enabling predictions with first-principles density functional calculations for several representative compounds. This will boost the theoretical and experimental efforts in finding new spin-polarized materials.

36 MATERIALS SCIENCE↗

Harnessing ferro-valleytricity in pentalayer rhombohedral graphene for memory and compute

Two-dimensional materials with multiple degrees of freedom, including spin, valleys, and orbitals, open up an exciting avenue for engineering multifunctional devices. Beyond spintronics, these degrees of freedom can lead to novel quantum effects such as valley-dependent Hall effects and orbital magnetism, which could revolutionize next-generation electronics. However, achieving independent control over valley polarization and orbital magnetism has been a challenge due to the need for large electric fields. A recent breakthrough involving pentalayer rhombohedral graphene has demonstrated the ability to individually manipulate anomalous Hall signals and orbital magnetic hysteresis, forming what is known as a valley-magnetic quartet. Here, we leverage the electrically tunable ferro-valleytricity of pentalayer rhombohedral graphene to develop nonvolatile memory and in-memory computation applications. We propose an architecture for a dense, scalable, and selector-less nonvolatile memory array that harnesses the electrically tunable ferro-valleytricity. In our designed array architecture, nondestructive read and write operations are conducted by sensing the valley state through two different pairs of terminals, allowing for independent optimization of read/write peripheral circuits. The power consumption of our PRG-based array is remarkably low, with only ∼6 nW required per write operation and ∼2.3 nW per read operation per cell. This consumption is orders of magnitude lower than that of the majority of state-of-the-art cryogenic memories. Additionally, we engineer in-memory computation by implementing majority logic operations within our proposed nonvolatile memory array without modifying the peripheral circuitry. In conclusion, our framework presents a promising pathway toward achieving ultra-dense cryogenic memory and in-memory computation capabilities.

2D materials↗

Calibration and Initial Results of Space Radiation Dosimetry Using the iMESA-R

The integrated Miniaturized Electrostatic Analyzer-Reflight (iMESA-R) is a space weather instrument designed to measure plasma density, temperature, and spacecraft charging, along with total ionizing dose and dose rate. A constellation consisting of five nearly identical instruments has been designed and developed to act as science payloads hosted on-board Department of Defense satellites operating in low-Earth orbit. To validate the dosimetry component of the iMESA-R, a radiation test study was performed to calibrate the dosimeter and ascertain the attenuation due to the instrument aluminum housing. An 80 curie Cobalt-60 radioisotope source emitting beta, X-ray, and gamma ray radiation decay products was used to calibrate the dosimeter response as a function of distance and instrument shielding. We present results of the calibration study along with initial on-orbit data presented from the first operational iMESA-R hosted on-board Space Test Program Satellite 5 in a polar Earth orbit. The initial on-orbit data demonstrate the ability to map the radiation environment, particularly the South Atlantic Anomaly and the auroral regions using total ionizing dose rate due to electrons of E > 1.5 MeV and protons of E > 25 MeV.

79 ASTRONOMY AND ASTROPHYSICS↗

Solvent Induced Proton Polarization within the Nuclear–Electronic Orbital Framework

To explicitly account for nuclear quantum effects and solvent environments in simulations of chemical processes, the nuclear-electronic orbital approach is coupled with a polarizable continuum model (PCM). This NEO–PCM approach is used to explore the influence of solvation on nuclear polarization through applications to a water dimer and a set of protonated water tetramers. Nuclear polarization in these species is analyzed in terms of changes in proton density and oxygen–hydrogen bond length. Solvation is shown to enhance nuclear polarization with increasing dielectric constant. For the water dimer, the internal, hydrogen-bonded proton is shown to polarize more than the external, free proton. Moreover, proton quantization leads to greater solvent polarization through their mutual polarization. Furthermore, these calculations highlight the complex interplay among electronic, nuclear, and solvent polarization in chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Beyond Epitaxy: Ion Implantation as a Tool for Orbital Engineering

Manipulating electronic orbital states in quantum materials provides a powerful means of controlling their physical properties and technological functionality. Here, we demonstrate that orbital populations in strongly correlated oxide thin films can be continuously and reversibly tuned through postsynthesis He ion implantation. Using LaNiO 3 as a model system, we show that the orbital preference can be systematically adjusted from favoring in-plane d x 2 –y 2 occupation toward out-of-plane d z 2 states through precise control of ion fluence. Unlike conventional heteroepitaxial approaches that lock in orbital configurations during growth, this strain-doping technique enables continuous orbital tuning and the selective modification of specific film regions after device fabrication. We demonstrate the practical impact of this control by achieving a 7-fold enhancement in oxygen reduction reaction catalysis. This work establishes ion implantation as a powerful approach for orbital engineering that complements existing synthesis-based strategies while offering unique advantages for both basic research and device development.

Doping↗

Numerical modeling of a proton spin-flipping system in the spin transparency mode at an integer spin resonance in JINR's Nuclotron

In this paper we propose a lattice insertion for the Nuclotron ring called a “spin navigator” that can adjust any direction of the proton polarization in the orbital plane using weak solenoids. The polarization control is realized in the spin transparency mode at the energy of 108 MeV, which corresponds to the integer spin resonance γ G = 2. The requirements on the navigator solenoid fields are specified considering the criteria for stability of the spin motion during any manipulation of the polarization direction in an experiment. Additionally, this paper presents the results of numerical modeling of the proton spin dynamics in the Nuclotron ring operated in the spin transparency mode. The verified spin navigator is aimed at an experimental study of a spin-flipping system using the Nuclotron ring. The results are relevant to the NICA (JINR), EIC (BNL) and COSY (FZJ) facilities where the spin transparency mode can be applied for polarization control.

47 OTHER INSTRUMENTATION↗

Reconstructing the Wave Function of Magnetic Topological Insulators MnBi 2 ⁢Te 4 and MnBi 4 ⁢Te 7 Using Spin-Resolved Photoemission

Despite their importance for exotic quantum effects, the surface electronic structure of magnetic topological insulators MnBi 2 ⁢Te 4 and MnBi 4 ⁢Te 7 remains poorly understood. Using high-efficiency spin- and angle-resolved photoemission spectroscopy, we directly image the spin-polarization and orbital character of the surface states in both compounds and map our observations onto a model wave function to describe the complex spin-orbital texture, which solidifies our understanding of the surface band structure by establishing the single-band nature of the most prominent states. Most importantly, our analysis reveals a new mechanism for reducing the magnetic gap of the topological surface states based on the orbital composition of the wave function.

Han, Xue [SLAC National Accelerator Laboratory (SL↗

Exact solutions for the electromagnetic fields of a flying focus

The intensity peak of a “flying” focus travels at a programmable velocity over many Rayleigh ranges while maintaining a near-constant profile. Assessing the extent to which these features can enhance laser-based applications requires an accurate description of the electromagnetic fields. Here we present exact analytical solutions to Maxwell’s equations for the electromagnetic fields of a constant-velocity flying focus, generalized for arbitrary polarization and orbital angular momentum. Furthermore, the approach combines the complex source-point method, which transforms multipole solutions into beam-like solutions, with the Lorentz invariance of Maxwell’s equations. Propagating the fields backward in space reveals the space-time profile that an optical assembly must produce to realize these fields in the laboratory. Comparisons with simpler paraxial solutions provide conditions for their reliable use when modeling a flying focus.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Isotropic parallel antiferromagnetism in the magnetic field induced charge-ordered state of $\mathrm{Sm Ru_4 P_{12}}$ caused by $p - f$ hybridization

Nature of the field-induced charge-ordered phase (phase II) of SmRu 4 P 12 has been investigated by resonant x-ray diffraction (RXD) and polarized neutron diffraction (PND), focusing on the relationship between the atomic displacements and the antiferromagnetic (AFM) moments of Sm. From the analysis of the interference between the nonresonant Thomson scattering and the resonant magnetic scattering, combined with the spectral function obtained from x-ray magnetic circular dichroism, it is shown that the AFM moment of Sm prefers to be parallel to the field (m AF ∥ H), giving rise to large and small moment sites around which the P 12 and Ru cage contract and expand, respectively. This is associated with the formation of the staggered ordering of the Γ 7 -like and Γ 8 -like crystal-field states, providing a strong piece of evidence for the charge order. PND was also performed to obtain complementary and unambiguous conclusion. In addition, isotropic and continuous nature of phase II is demonstrated by the field-direction invariance of the interference spectrum in RXD. Finally, crucial role of the p-f hybridization is shown by resonant soft x-ray diffraction at the P K edge (1s↔3p), where we detected a resonance due to the spin polarized 3p orbitals reflecting the AFM order of Sm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spin-Polarization Simulations for the Future Circular Collider $E^+E^-$ using BMAD

The high precision measurement of the centre-of-mass energy in the Future Circular Collider e+e- (FCC-ee) at Z and W energies can be realized through resonant spin depolarization utilizing transversely polarized beams. This requires a guaranteed sufficiently-high spin polarization in the presence of lattice imperfections. Investigations of the impact of misalignments on the equilibrium polarization are conducted using analytical and Monte-Carlo spin simulations with Bmad. Potential optimization schemes to ensure high polarization using orbit bumps have been explored.

43 PARTICLE ACCELERATORS↗

Electronic Structures and Magnetism of Zr-, Th-, and U-based Metal-Organic Frameworks (MOFs) by Density Functional Theory

Metal-organic frameworks (MOFs) have recently gained wide interest as candidate materials for nuclear waste immobilization. While the fundamental thermodynamic properties, such as the substitution energies determine the favorability of radionuclide sequestration by utilization of a MOF matrix, the studies of MOF electronic structure reveal the role of d-, and/or f-electrons on changes in physical properties of actinide-containing materials. We use density functional theory (DFT) calculations to investigate the electronic structures of Zr-, Th-, and U-MOFs, including their electronic band structures and, where appropriate, their magnetic properties. We employ various DFT methods including DFT+U, collinear spin-polarization, spin-orbit coupling, and different flavors of exchange-correlation functionals to assess the robustness to the specific exchange-correlation functional. Unlike the Zr-, and Th-MOFs, the U-MOF is found to be sensitive to electron localization and spin; hence we explore the magnetic structure of the U-MOF in further detail.

Metal-Organic Framework, MOF, Actinides, DFT↗

SVD Orbit Correction in Zgoubi And Examples: SATURNE, RHIC, EIC RCS

This Tech. Note describes the SVD technique in the Lorentz force numerical solver zgoubi. It has been used as a tool to study the effect of vertical orbit perturbation on polarization transmission in RHIC, and for the study of the compensation of orbit defects resulting from stray fields in the EIC RCS.

43 PARTICLE ACCELERATORS↗

Elastic dijet production in electron scattering on a longitudinally polarized proton at small x : A portal to orbital angular momentum distributions

We calculate the elastic production of dijets from electron collisions with a longitudinally polarized proton target at small values of the Bjorken x variable. Building on the pioneering proposals of Hatta [Gluon orbital angular momentum at small- x , .] and Bhattacharya [Signature of the gluon orbital angular momentum, ., Probing the quark orbital angular momentum at electron-ion colliders using exclusive π 0 production, ., and Exploring orbital angular momentum and spin-orbit correlation for gluons at the Electron-Ion Collider, .] for measuring the quark and gluon orbital angular momentum (OAM) distributions, our focus is on both the longitudinal double spin asymmetry (DSA) and longitudinal single spin asymmetry (SSA). We compute the numerators of these asymmetries in the small- x formalism of the light-cone operator treatment. Utilizing the small- x expressions for the OAM distributions derived earlier in Kovchegov and Manley [Orbital angular momentum at small x revisited, .], we demonstrate that the DSA provides a robust probe for both the quark and gluon OAM distributions within the proton. In contrast, we find that while the SSA is also sensitive to the OAM distributions, extraction of the latter from the SSA would require new developments in small- x theory and phenomenology, and is probably not feasible at this point in time. These findings highlight the potential of DSA measurements in elastic dijet production at the future Electron-Ion Collider to provide the first-ever direct access to the quark and gluon OAM distributions at small x , paving the way for new insights into the proton spin puzzle. Published by the American Physical Society 2025

Kovchegov, Yuri V. (ORCID:0000000169909173)↗

Beam and Spin Optics Simulation Tutorials, Using Zgoubi Exercises and Solutions 2 - RHIC Run 22 Spin Transparency Experiment

High electron and ion polarizations are paramount design requirements for the future Electron Ion Collider (EIC) at BNL. A “spin transparency” mode of operation, inherited from the “figure-8” ring design [1], allows preservation and control of electron and ion spin polarization in a collider or storage ring [2, 3]. It makes the ring lattice “invisible” to the spin and allows for polarization control by small quasi-static magnetic fields with practically no effect on beam orbital parameters. Beam polarization can then be fully controlled by small adjustments of snake axis orientation (a few degrees) and snake strengths (a few percent); polarization orientation at IPs can be controlled without spin rotators, spins can be adiabatically flipped without the need of ac magnets. The transparent spin mode has been demonstrated in simulations [2] for the purpose of being tested experimentally during RHIC Run 22. This experiment was aimed at providing data to validate the principles. Yellow RHIC ring (Fig. 1.1) was configured in the transparent spin mode by aligning the axes of its two helical snakes (located respectively in the 3 o’clock and 9 o’clock sextants) parallel to the longitudinal axis. Experiment goals and expected results, ad hoc procedures and hardware requirements, are addressed in Refs. [2, 3].

43 PARTICLE ACCELERATORS↗

Spin switchable optical phenomena in Rashba band structures through intersystem crossing in momentum space in solution-processing 2D-superlattice perovskite film

Spin-switchable phenomena are a critical element for the development of spintronic and chiroptic devices. Herein we combine a 2D-superlattice perovskite (4,4-DFPD2PbI4) film with a ferromagnetic cobalt (Co) layer to form a multiferroic perovskite/Co interface, and demonstrate spin-switchable circularly polarized luminescence (CPL) between right-handed σ+ and left-handed σ− polarizations. When the ferromagnetic spins of Co at the Co/perovskite interface are altered between positive and negative magnetic field directions, the CPL from the 2D-superlattice perovskite switches from σ+ to σ− polarization. The magnetic field effects present a unique method to confirm that CPL is generated by the circular-orbital momentum of light-emitting excitons within Rashba band structures, eliminating artifacts involving structural birefringence. Our polarized neutron reflectometry measurements confirm a super long-range spin-orbit interaction occurring in the 2D-superlattice perovskite films. The temperature dependence of spin-switchable phenomenon indicates an extraordinarily long orbital polarization lifetime, reaching microseconds at room temperature and milliseconds at 5 K.

36 MATERIALS SCIENCE↗

Voltage-Controlled Magnetic Reversal in Orbital Chern Insulators

Chern insulator ferromagnets are characterized by a quantized anomalous Hall effect and have so far been identified experimentally in magnetically doped topological insulator thin films and in bilayer graphene moiré superlattices. We classify Chern insulator ferromagnets as either spin or orbital, depending on whether the orbital magnetization results from spontaneous spin polarization combined with spin-orbit interactions, as in the magnetically doped topological insulator case, or directly from spontaneous orbital currents, as in the moiré superlattice case. We argue that, in a given magnetic state, characterized, for example, by the sign of the anomalous Hall effect, the magnetization of an orbital Chern insulator will often have opposite signs for weak n and weak p electrostatic or chemical doping. Finally, this property enables pure electrical switching of a magnetic state in the presence of a fixed magnetic field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Polarized Image of a Synchrotron-emitting Ring of Gas Orbiting a Black Hole

Synchrotron radiation from hot gas near a black hole results in a polarized image. The image polarization is determined by effects including the orientation of the magnetic field in the emitting region, relativistic motion of the gas, strong gravitational lensing by the black hole, and parallel transport in the curved spacetime. We explore these effects using a simple model of an axisymmetric, equatorial accretion disk around a Schwarzschild black hole. By using an approximate expression for the null geodesics derived by Beloborodov and conservation of the Walker–Penrose constant, we provide analytic estimates for the image polarization. We test this model using currently favored general relativistic magnetohydrodynamic simulations of M87*, using ring parameters given by the simulations. For a subset of these with modest Faraday effects, we show that the ring model broadly reproduces the polarimetric image morphology. Our model also predicts the polarization evolution for compact flaring regions, such as those observed from Sgr A* with GRAVITY. With suitably chosen parameters, our simple model can reproduce the EVPA pattern and relative polarized intensity in Event Horizon Telescope images of M87*. Under the physically motivated assumption that the magnetic field trails the fluid velocity, this comparison is consistent with the clockwise rotation inferred from total intensity images.

79 ASTRONOMY AND ASTROPHYSICS↗

$\mathrm{Perturbo}$: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics

We report Perturbo is a software package for first-principles calculations of charge transport and ultrafast carrier dynamics in materials. The current version focuses on electron–phonon interactions and can compute phonon-limited transport properties such as the conductivity, carrier mobility and Seebeck coefficient. It can also simulate the ultrafast nonequilibrium electron dynamics in the presence of electron–phonon scattering. Perturbo uses results from density functional theory and density functional perturbation theory calculations as input, and employs Wannier interpolation to reduce the computational cost. It supports norm-conserving and ultrasoft pseudopotentials, spin–orbit coupling, and polar electron–phonon interactions for bulk and 2D materials. Hybrid MPI plus OpenMP parallelization is implemented to enable efficient calculations on large systems (up to at least 50 atoms) using high-performance computing. Taken together, Perturbo provides efficient and broadly applicable ab initio tools to investigate electron–phonon interactions and carrier dynamics quantitatively in metals, semiconductors, insulators, and 2D materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗