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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spin density wave and van Hove singularity in the kagome metal CeTi 3 Bi 4

Kagome metals with van Hove singularities near the Fermi level can host intriguing quantum phenomena such as chiral loop currents, electronic nematicity, and unconventional superconductivity. However, to our best knowledge, unconventional magnetic states driven by van Hove singularities–like spin-density waves–have not been observed experimentally in kagome metals. Here, we report the magnetic and electronic structure of the layered kagome metal CeTi 3 Bi 4 , where Ti kagome electronic structure interacts with a magnetic sublattice of Ce 3+ J eff = 1/2 moments. Neutron diffraction reveals an incommensurate spin-density wave ground state of the Ce 3+ moments, coexisting with commensurate antiferromagnetic order across most of the temperature-field phase diagram. The commensurate component is preferentially suppressed by thermal fluctuations and magnetic field, yielding a rich phase diagram involving an intermediate single-Q spin-density wave phase. First-principles calculations and angle-resolved photoemission spectroscopy identify van Hove singularities near the Fermi level, with the observed magnetic propagation vectors connecting their high density of states, strongly suggesting a van Hove singularity-assisted spin-density wave. These findings establish kagome metals LnTi 3 Bi 4 as a model platform where the characteristic electronic structure of the kagome lattice plays a pivotal role in magnetic order.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Polycrystalline Silicon Sheets for Solar Cells by the Improved Spinning Method

Cost reduction of silicon materials in the photovoltaic program of materials was examined. The current process of producing silicon sheets is based entirely on the conventional Czochralski ingot growth and wafering used in the semiconductor industry. The current technology cannot meet the cost reduction demands for producing low cost silicon sheets. Alternative sheet production processes such as unconventional crystallization are needed. The production of polycrystalline silicon sheets by unconventional ingot technology is the casting technique. Though large grain sheets were obtained by this technique, silicon ribbon growth overcomes deficiencies of the casting process by obtaining the sheet directly from the melt. The need to solve difficulties of growth stability and impurity effects are examined. The direct formation process of polycrystalline silicon sheets with large grain size, smooth surface, and sharp edges from the melt with a high growth rate which will yield low cost silicon sheets for solar cells and the photovoltaic characteristics associated with this type of sheet to include an EBIC study of the grain boundaries are described.

Maeda, Y.↗
DOE OSTI2024

Low spin spectroscopy of neutron-rich Cl 43 , 44 , 45 via β - and β n decay

In this article, β - decay studies of neutron-rich isotopes 43,45 S performed at the National Superconducting Cyclotron Laboratory are reported. β -delayed $\gamma$ transitions were detected by an array of 16 clover detectors surrounding the Beta Counting Station, which consists of a 40×40 double-sided silicon strip detector followed by a single-sided silicon strip detector. β -decay half-lives were extracted for 43,45 S by correlating implants and decays in the pixelated implant detector and by considering further coincidences with $\gamma$ transitions in the daughter nuclei. Further, the level structures of 43,45 Cl are expanded by the addition of 20 and 8 new $\gamma$ transitions in 43 Cl and 45 Cl respectively, and core-excited negative-parity states were observed in both nuclei for the first time. For 45 S, a large fraction of the β -decay strength was observed feeding neutron-unbound states in 45 Cl, which, decaying by delayed neutrons, populated excited states in the β ⁢1⁢ n daughter, 44 Cl. Experimental observations were compared to detailed shell-model calculations using the SDPFSDG-MU interaction to highlight the role of the diminished N = 28 neutron shell gap and the near degeneracy of the proton s 1/2 and d 3/2 orbitals in the structure of the neutron-rich Cl isotopes. The current work also provides further support to a ground-state spin-parity assignment of 3/2 + in 45 Cl.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Confinement and String Breaking in the Compact Abelian Higgs Model

While real-time simulation of Quantum Chromodynamics remains technologically out of reach, simplified models for studying elements of QCD phenomenology abound. This work presents a simple model, a spin-1 truncation of the Compact Abelian Higgs Model simulated on qutrit sites, in which confinement and string breaking is accessible to current simulation methods. In the low-energy regime of 1+1D scalar electrodynamics, the heavy modes are integrated out, producing a spin chain effective Hamiltonian in which Gauss' law is implicitly satisfied. We study the spectrum of string-like excitations using DMRG methods on the order of 100 sites. We demonstrate that an added, local chemical potential, playing a role analogous to external charges, permits parameter-dependent measurements of physical features of interest like the string tension and effective meson mass. Varying the chemical potential also permits a characterization of string stability not assessed in prior studies of confining lattice models.

Senseman, Blake [Iowa U.]↗
DOE OSTI2022

Supercurrent diode effect and finite-momentum superconductors

When both inversion and time-reversal symmetries are broken, the critical current of a superconductor can be nonreciprocal. In this work, we show that, in certain classes of two-dimensional superconductors with antisymmetric spin–orbit coupling, Cooper pairs acquire a finite momentum upon the application of an in-plane magnetic field, and, as a result, critical currents in the direction parallel and antiparallel to the Cooper pair momentum become unequal. This supercurrent diode effect is also manifested in the polarity dependence of in-plane critical fields induced by a supercurrent. These nonreciprocal effects may be found in polar SrTiO 3 film, few-layer MoTe 2 in the Td phase, and twisted bilayer graphene in which the valley degree of freedom plays a role analogous to spin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2011

Gravitational-Wave Data Analysis with Spinning Merger-Ringdown Waveforms

The recent availability of high-quality, gravitational merger-ringdown waveforms from spinning black-hole systems has made possible the development of multi-mode GW templates for use in data-analysis studies of current and proposed interferometric GW detectors. We report on recent work at NASA Goddard, analyzing the most significant modes from aligned-spin black-hole-binary mergers. From these, we have developed time-domain merger-ringdown GW templates covering the aligned-spin portion of parameter space. We also discuss how using the full information content of aligned-spin mergers can significantly reduce uncertainties in some parameters, emphasizing the significant gains possible in the last stages of merger, inaccessible to inspiral-only post-Newtonian templates.

Kelly Bernard J.↗
DOE OSTI2024

Interplay of pressure and temperature in modulating the magnetic properties of Cr 2 O 3

The spin-lattice interaction is pivotal in tailoring materials properties and is crucial for developing novel spintronic devices. Here, in the current work, we aim to explore the effects of pressure and temperature on the magnetic properties of Cr 2 O 3 to gain insights into its spin-lattice interaction. Through high-pressure neutron diffraction experiments, we observed an enhancement of the magnetic Bragg intensity with increasing pressure and it becomes more pronounced as the temperature increases. Results from first-principles calculations reveal a strengthening of the easy-axis magnetic anisotropy, doubling from 0 to 20 GPa. The exchange parameters, calculated based on this spin orientation, show an enhancement of the dominant magnetic interactions and an increase of magnetic ordering temperature when pressure increases. These findings suggest that the contributions from these two mechanisms are responsible for the observed increase in magnetic Bragg intensity.

Cr2O3↗
DOE OSTI2021

Photoinduced anomalous Hall effect in two-dimensional transition metal dichalcogenides

A circularly polarized ac pump field illuminated near resonance on two-dimensional transition metal dichalcogenides (TMDs) produces an anomalous Hall effect in response to a dc bias field. In this work, we develop a theory for this photoinduced anomalous Hall effect in undoped TMDs irradiated by a strong coherent laser field. The strong field renormalizes the equilibrium bands and opens up a dynamical energy gap where single-photon resonance occurs. The resulting photon dressed states, or Floquet states, are treated within the rotating-wave approximation. A quantum kinetic equation approach is developed to study the nonequilibrium density matrix and time-averaged transport currents under the simultaneous influence of the strong ac pump field and the weak dc probe field. Dissipative effects are taken into account in the kinetic equation that captures relaxation and dephasing. The photoinduced longitudinal and Hall conductivities display notable resonant signatures when the pump field frequency reaches the spin-split interband transition energies. Rather than valley polarization, we find that the anomalous Hall current is mainly driven by the intraband response of photon-dressed electron populations near the dynamical gap at both valleys, accompanied by a smaller contribution due to the interband response. In conclusion, these findings highlight the importance of photon-dressed bands and nonequilibrium distribution functions in achieving a proper understanding of the photoinduced anomalous Hall effect in a strong pump field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Three-dimensional stacking of canted antiferromagnetism and pseudospin current in undoped Sr 2 IrO 4 : Symmetry analysis and microscopic model realization

Recent optical second-harmonic generation experiments observed unexpected broken spatial symmetries in the undoped spin-orbit Mott insulator Sr2 IrO4, leading to intensive debates on the nature of its ground state. Here we propose that it is a canted antiferromagnetism (CAF) with a hidden order of circulating staggered pseudospin current. Symmetry analysis shows that a proper c-axis stacking of the CAF and the pseudospin current lead to a magnetoelectric coexistence state that breaks the twofold rotation, inversion, and time-reversal symmetries, consistent with experimental observations. We construct a three-dimensional Hubbard model with spin-orbit coupling and structural distortion for the five localized 5d Wannier orbitals centered at Ir sites and demonstrate the microscopic realization of the desired coexistence state in a wide range of band parameters via a combination of self-consistent Hartree-Fock and variational calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Emergent Inductance from Chiral Orbital Currents in a Bulk Ferrimagnet

Here, we report the discovery of a new form of inductance in the bulk ferrimagnet Mn 3 ⁢Si 2 ⁢Te 6 , which features strong spin-orbit coupling, large magnetic anisotropy, and pronounced magnetoelastic interactions. Below its Curie temperature (𝑇 𝐶 ≈ 78 K), Mn 3 ⁢Si 2 ⁢Te 6 hosts chiral orbital currents (COC) that circulate within the crystal lattice and give rise to collective electronic behavior [Control of chiral orbital currents in a colossal magnetoresistance material, Nature (London) 611, 467 (2022).]. By applying a magnetic field along the hard 𝑐 axis and driving the system with low-frequency currents, we uncover a giant inductive response up to millhenry scale, originating from first-order reconfigurations of COC domains. These domains act as coherent mesoscopic inductive elements that resist reversal upon current reduction, producing a large electromotive force and sharply increasing voltage. This emergent inductance defies classical models, occurs without superconductivity or engineered nanostructures, and opens a new frontier in orbital-based quantum functionality and device concepts.

complex materials↗
DOE OSTI2026

Comparing the fluorination of Pb+ and Po+: insights into p-block relativistic effects for superheavy elements

It is expected that the chemical properties of the heaviest of the superheavy elements (SHEs, = 113 – 118) do not align with what is suggested by their current positions on the periodic table. Specifically, the onset of significant relativistic effects, including increased spin–orbit splitting of the p-orbitals may lead to enhanced stability of low-oxidation states. Notably, it is predicted that flerovium ( = 114) may exhibit pseudo-noble gas behavior from a electron configuration that acts as an ‘inert pair’. Even though it is expected that the – splitting becomes pronounced toward the end of the p-block’s sixth row, there is currently limited experimental evidence to confirm its extent or impact. Here, the production of gas-phase lead ( = 82) and polonium ( = 84) fluoride cations (PbF and PoF ) were compared to elucidate differences in accessible oxidation states. The PoF and PbF species were produced and identified with the FIONA spectrometer at the Lawrence Berkeley National Laboratory 88-Inch Cylctron Facility. Polonium showed notably different fluorination chemistry than lead, producing PoF and PoF as primary products compared to lead’s PbF and PbF . The distribution of PoF products observed offer insights as to the role of spin–orbit splitting for polonium. Similar studies of superheavy elements would elucidate the accessibility of their low-oxidation states as well as to inform chemical predictions for eighth-row elements not yet discovered.

Pore, Jennifer L [Nuclear Science Division, Lawren↗
NASA NTRS1993

TeV gamma rays from millisecond pulsars and the detectability of globular clusters

I investigate the detectability of TeV gamma rays from millisecond pulsars, assuming the energy source that powers this emission is the loss of rotational energy of the spinning neutron star. I show that although individual sources may be too weak to detect, the contribution of many (about 1000) active millisecond pulsars may lead to currently detectable TeV gamma-ray emissions from globular clusters, provided the average pulsar converts about 0.1 percent of its spin-down energy into TeV gamma rays. Future detections of TeV gamma rays from globular clusters (or more restrictive upper limits on the fluxes) will lead to better estimates of the number of active millisecond pulsars the clusters contain, and to a better understanding of the pulsar emission mechanism. I also derive flux estimates for the following sources: (1) the Crab Nebula, (2) PSR 19374-21, PSR 1953 4-29, and PSR 1855 4-09, and (3) nearby millisecond pulsars in the galactic disk.

Smith, I. A.↗
DOE OSTI2026

Intrinsic nonlocality of spin- and polarization-resolved probabilities in strong-field quantum electrodynamics

Spin and polarization are central to precision tests of fundamental physics and for interpreting radiation from astrophysical sources and ultraintense laser-matter experiments. Here, focusing on the fundamental process of nonlinear Compton scattering, we demonstrate that a key assumption underlying current strong-field quantum electrodynamics models, i.e., that emission can be treated as an instantaneous random event sampled from a local differential rate, is inconsistent once emission angles, electron spin, and/or photon polarization are resolved. Namely, even in strictly constant and uniform fields , the resulting fully differential distribution is sign indefinite, yielding negative inferred probabilities. The physical reason is that the photon emission probability builds up over a finite length of the electron trajectory, the formation region, during which the electron direction changes by roughly the same small angle that defines the radiation cone. Therefore, we put forward a new method where we integrate over this formation region analytically to obtain a physically consistent electron spin and photon polarization model. We show that the implementation of our model is compatible with existing Monte Carlo and particle-in-cell workflows. Simulations of a GeV-class electron-laser collision accessible at current petawatt facilities and of emission in a pulsarlike magnetic field are shown to reveal spin and polarization patterns that differ even qualitatively from state-of-the-art local models. In particular, our new model predicts substantial angle-dependent circular photon polarization where the well-known collinear-emission approach yields none, and a pronounced helicity bias in the recoiling electrons absent from current predictions. These findings have direct implications for upcoming strong-field QED experiments and for interpreting polarized radiation from extreme astrophysical environments.

astrophysical electromagnetic fields↗
DOE OSTI2022

Nonequilibrium sub-10 nm spin-wave soliton formation in FePt nanoparticles

Magnetic nanoparticles such as FePt in the L1 0 phase are the bedrock of our current data storage technology. As the grains become smaller to keep up with technological demands, the superparamagnetic limit calls for materials with higher magnetocrystalline anisotropy. This, in turn, reduces the magnetic exchange length to just a few nanometers, enabling magnetic structures to be induced within the nanoparticles. Here, we describe the existence of spin-wave solitons, dynamic localized bound states of spin-wave excitations, in FePt nanoparticles. We show with time-resolved x-ray diffraction and micromagnetic modeling that spin-wave solitons of sub–10 nm sizes form out of the demagnetized state following femtosecond laser excitation. The measured soliton spin precession frequency of 0.1 THz positions this system as a platform to develop novel miniature devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Isotropic nanocrystalline Sm(Fe,Co) 11.3 Ti 0.7 magnets modified with B and Zr

Rare-earth-lean Sm(Fe,Co,Ti) 12 alloys with the ThMn 12 crystal structure and less than one Ti atom per formula unit have the potential of exceptionally powerful permanent magnets, but all prior attempts to develop high coercivity in bulk alloys, especially coercivity combined with crystallographic texture, have fallen short of the expectations. This study was aimed at improvement of the currently best Sm(Fe,Co,Ti) 12 magnets prepared through melt-spinning which are inherently isotropic. Modifications of the alloys with B and Zr, already demonstrated in earlier studies to be effective separately, have been implemented simultaneously. Here, a systematic study of Sm 1.1-x (Fe,Co) 11.3-y Ti 0.7 B y alloys melt-spun at a tangential speed of 50 m/s and annealed at 600–950 °C allowed for monitoring the continuous evolution of the two consecutive crystal structures, those of the TbCu 7 and ThMn 12 types. Zirconium was found to facilitate the formation of the 1:12 structure at the expense of the 1:7, whereas boron has the opposite effect, at certain concentrations completely suppressing the 1:12. When the two alloying elements are introduced simultaneously, they inhibit growth of the 1:12 crystallites at annealing temperatures higher than 800 °C, thus allowing for the development of a higher coercivity. Because of instrumental limitations, bulk magnets were prepared through a two-step process – compaction of the melt-spun ribbons at 650 °C and additional treatment at a higher temperature – and they were characterized by a reduced, 90–93%, density. Nevertheless, an isotropic Sm 0.9 Zr 0.2 (Fe,Co) 10.8 Ti 0.7 B 0.5 magnet exhibited fair values of the remanence (7.4 kG), maximum energy product (8.5 MGOe) and coercivity (5.4 kOe), as well as high Curie temperature of 525 °C and remarkably small temperature coefficient of the coercivity, -0.25%/°C.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Negatively Charged Excitons in CdSe Nanoplatelets

The low-temperature emission spectrum of CdSe colloidal nanoplatelets (NPLs) consists of two narrow lines. The high-energy line stems from the recombination of neutral excitons. The origin of the low-energy line is currently debated. Here, we experimentally study the spectral shift, emission dynamics, and spin polarization of both lines at low temperatures down to 1.5 K and in high magnetic fields up to 60 T and show that the low-energy line originates from the recombination of negatively charged excitons (trions). This assignment is confirmed by the NPL photocharging dynamics and associated variations in the spectrum. We show that the negatively charged excitons are considerably less sensitive to the presence of surface spins than the neutral excitons. The trion binding energy in three-monolayer-thick NPLs is as large as 30 meV, which is 4 times larger than its value in the two-dimensional limit of a conventional CdSe quantum well confined between semiconductor barriers. A considerable part of this enhancement is gained by the dielectric enhancement effect, which is due to the small dielectric constant of the environment surrounding the NPLs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Manipulating electron redistribution to achieve electronic pyroelectricity in molecular [FeCo] crystals

Pyroelectricity plays a crucial role in modern sensors and energy conversion devices. However, obtaining materials with large and nearly constant pyroelectric coefficients over a wide temperature range for practical uses remains a formidable challenge. Attempting to discover a solution to this obstacle, we combined molecular design of labile electronic structure with the crystal engineering of the molecular orientation in lattice. This combination results in electronic pyroelectricity of purely molecular origin. Here, we report a polar crystal of an [FeCo] dinuclear complex exhibiting a peculiar pyroelectric behavior (a substantial sharp pyroelectric current peak and an unusual continuous pyroelectric current at higher temperatures) which is caused by a combination of Fe spin crossover (SCO) and electron transfer between the high-spin Fe ion and redox-active ligand, namely valence tautomerism (VT). As a result, temperature dependence of the pyroelectric behavior reported here is opposite from conventional ferroelectrics and originates from a transition between three distinct electronic structures. The obtained pyroelectric coefficient is comparable to that of polyvinylidene difluoride at room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Erbium-implanted materials for quantum communication applications

Erbium-doped materials can serve as spin-photon interfaces with optical transitions in the telecom C band, making them an exciting class of materials for long-distance quantum communication. However, the spin and optical coherence times of Er 3+ ions are limited by currently available host materials, motivating the development of new Er 3+ -containing materials. Here we demonstrate the use of ion implantation to efficiently screen prospective host candidates, and show that disorder introduced by ion implantation can be mitigated through post-implantation thermal processing to achieve inhomogeneous linewidths comparable to bulk linewidths in as-grown samples. We present optical spectroscopy data for each host material, which allows us to determine the level structure of each site, allowing us to compare the environments of Er 3+ introduced via implantation and via doping during growth. Here, we demonstrate that implantation can generate a range of local environments for Er 3+ , including those observed in bulk-doped materials, and that the populations of these sites can be controlled with thermal processing.

74 ATOMIC AND MOLECULAR PHYSICS↗