SEARCH · Engineering Papers

Results for “spin states”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Spin-lattice entanglement in CoPS 3

Complex chalcogenides in the 𝑀⁢PS 3 family of materials (𝑀 =Mn, Fe, Co, and Ni) display remarkably different phase progressions depending upon the metal center orbital filling, character of the P–P linkage, and size of the van der Waals gap. There is also a stacking pattern and spin-state difference between the “lighter” and “heavier” transition-metal-containing systems that places CoPS 3 at the nexus of these activities. Despite these unique properties, this compound is underexplored. Here, we bring together Raman scattering spectroscopy and infrared absorption spectroscopy with x-ray techniques to identify a structural component to the 119 K magnetic ordering transition. With temperature-dependent Raman scattering, we discover a set of magnon-phonon pairs that engages in avoided crossings below 𝑇 Néel . Lastly, these findings point to strong spin-phonon entanglement as well as opportunities to control these effects under external stimuli.

Magnetism↗

DOE OSTI2024

Prediction of s ± -Wave Superconductivity Enhanced by Electronic Doping in Trilayer Nickelates La 4 Ni 3 O 10 under Pressure

Motivated by the recently reported signatures of superconductivity in trilayer La 4 ⁢Ni 3 ⁢O 10 under pressure, here we comprehensively study this system using ab initio and random-phase approximation techniques. Without electronic interactions, the Ni d 3z 2 –r 2 orbitals show a bonding-antibonding and nonbonding splitting behavior via the O p z orbitals inducing a “trimer” lattice in La 4⁢ Ni 3 ⁢O 10 , analogous to the dimers of La 3 ⁢Ni 2 ⁢O 7 . The Fermi surface consists of three electron sheets with mixed e g orbitals, and a hole and an electron pocket made up of the d 3⁢z 2 –r 2 orbital, suggesting a Ni two-orbital minimum model. In addition, we find that superconducting pairing is induced in the s ± -wave channel due to partial nesting between the M = (π,π) centered pockets and portions of the Fermi surface centered at the Γ = (0,0) point. With changing electronic density n, the s ± instability remains leading and its pairing strength shows a domelike behavior with a maximum around n = 4.2 ( ~6.7% electron doping). The superconducting instability disappears at the same electronic density as that in the new 1313 stacking La 3 ⁢Ni 2 ⁢O 7 , correlated with the vanishing of the hole pocket that arises from the trilayer sublattice, suggesting that the high-T c superconductivity of La 3⁢ Ni 2 ⁢O 7 does not originate from a trilayer and monolayer structure. Furthermore, we confirm the experimentally proposed spin state in La 4 ⁢Ni 3 ⁢O 10 with an in-plane (π, π) order and antiferromagnetic coupling between the top and bottom Ni layers, and spin zero in the middle layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1995

Comments on the Rotational State and Non-Gravitational Forces of Comet 46/WIRTANEN

We apply our experience of modeling the rotational state and non-gravitational forces of comet 1 P/Halley and other comets to comet 46P/Wirtanen. While the paucity of physical data on 46P/Wirtanen makes this process somewhat speculative, this comet's place as target for the important Rosetta mission gives significance to such a study. Our arguments are based on the summary of observational data provided by Jorda and Rickman (1995) and a comparative study of the behavior of other periodic comets. We find 46P/Wirtanen to have a level of surface activity relative to its mass that is dynamically more akin to that found in comet 1 P/Halley than in a typical periodic comet. We show through an illustrative numerical example that this apparent fact should likely lead to an excited spin state for this comet and that significant changes in the spin period could occur in a single pass through perihelion. We argue that the available observations are not sufficient to substantiate the claim of Jorda and Rickman (1995) that the nucleus is undergoing retrograde rotation and it is possible that the rotation is either prograde as well as retrograde. The substantial requirements that must be placed on any future observing program necessary to determine the precise rotational state are outlined. We advocate an extended (approx. two month) southern hemisphere observing campaign to determine the nuclear rotational state in 1996 if possible before activity turns on.

Samarasinha, Nalin H.↗

DOE OSTI2025

Engineering long-lived entanglement through dissipation in quantum hybrid solid-state platforms

Spin squeezing, a form of many-body entanglement, is a crucial resource in quantum metrology and information processing. While experimentally viable protocols for generating stable spin squeezing have been proposed in quantum optics setups, there is growing interest in quantum hybrid solid-state systems as alternative platforms for both engineering and exploring many-body quantum phenomena. In this work, we propose a scheme to generate long-lived spin squeezing in an ensemble of solid-state qubits interacting with electromagnetic noise emitted by a squeezed solid-state bath. We identify the conditions under which quantum correlations within the bath can be transferred to the qubit array, driving it into an entangled state independently of its initial configuration. To assess the experimental feasibility of our approach, we analyze the dynamics of an array of solid-state spin defects coupled to a common ferromagnetic bath, which is driven into a non-equilibrium squeezed state through its interaction with a surface acoustic wave mode. Our results demonstrate that the ensemble can exhibit steady-state spin squeezing under suitable conditions, opening new pathways for the generation of robust many-body entanglement in solid-state spin ensembles.

NV centers↗

NASA NTRS1992

Theoretical study of hydrogen and nitrogen interactions - N-H transport cross sections and collision integrals

Potential energy curves have been calculated for the X 3Sigma(-) and 5Sigma(-) states of NH using a complete-active-space self-consistent-field/multireference configuration-interaction procedure and extensive Gaussian basis sets. An accurate dipole moment function is computed for the X 3Sigma(-) state. Transport cross sections have been calculated for the collisions of hydrogen and nitrogen atoms in their ground states. The mean transport cross sections are tabulated for collision energies in the range 0.0001-1 E(h); the mean collision integrals are listed for temperatures between 100 and 100,000 K. The ab initio energies for the 5 Sigma(-) state of NH are found to be consistent with the results of correlation studies and agree well with the prediction from combining relations using the energies of the highest spin states of H2 and N2.

Stallcop, James R.↗

NASA NTRS1995

Chaotic Rotation of Nereid

The shape and spin of Neptune's outermost satellite Nereid are still unknown. Ground-based photometry indicates large brightness variations, but different observers report very different lightcurve amplitudes and periods. On the contrary, Voyager 2 images spanning 12 days show no evidence of variations greater than 0.1 mag. The latter suggest either that Nereid is nearly spherical, or that it is rotating slowly. We propose that tides have already despun Nereid's rotation to a period of a few weeks, during the time before the capture of Triton when Nereid was closer to Neptune. Since Nereid reached its present orbit, tides have further despun Nereid to a period on the order of a month. For Nereid's orbital eccentricity of 0.75, tidal evolution ceases when the spin period is still approximately 1/8 of the orbital period. Furthermore, the synchronous resonance becomes quite weak for such high eccentricities, along with other low-order spin orbit commensurabilities. In contrast, high-order resonances become very strong particularly the 6:1, 6.5:1, 7:1, 7.5:1, and 8:1 spin states. If Nereid departs by more than approximately 1% from a sphere, however, these resonances overlap, generating chaos. Our simulations show that Nereid is likely to be in chaotic rotation for any spin period longer than about 2 weeks.

Dobrovolskis, Anthony R.↗

NASA NTRS1991

Characterization of the rotation of cometary nuclei

The primary methods used to determine the spin state of cometary nuclei and the pitfalls and successes experienced in their use are reviewed. Attention is given to the theory of rigid body rotation from the standpoint of remote (astronomical) observers, with emphasis on what is known of the effects of nutation of lightcurves, the influence of torques induced by jet activity, the effects of internal energy and mass dissipation, and nuclear splitting. The available knowledge on rotation for eight comets, including Comet P/Halley, is reviewed. The following questions are addressed: achievement of a consensus on the rotational state of P/Halley, the possibility of accurately determining the amplitude of the transverse nongravitational force associated with rotation, and whether the orientations of fanlike comas are a valid indicator of the orientation of the spin vector. The prerequisites for answering these questions are discussed.

Belton, Michael J. S.↗

DOE OSTI2025

Tetragonal BaCoO 3 : A Co 4+ Ferromagnetic Mott Insulator

We report the stabilization of the metastable body-centered tetragonal (BCT) phase of BaCoO 3 (BCT-BaCoO 3 ) under high-pressure (15 GPa) and hightemperature (1200 °C) conditions using a mixture precursor. This double perovskite adopts the EuTiO 3 -type structure (space group I4/mcm), as confirmed by powder Xray diffraction and high-resolution STEM. X-ray photoelectron spectroscopy indicates a predominant Co 4+ oxidation state without detectable oxygen vacancies. Magnetization and heat capacity measurements reveal ferromagnetic ordering at T C ∼ 107 K, attributable to the BCT-BaCoO 3 phase. Above this temperature, the mixed-phase sample exhibits Curie−Weiss paramagnetism, a low-spin to high-spin crossover upon cooling, and a possible intermediate-spin state at elevated temperatures. Resistivity data indicates insulating behavior with weak magnetoresistance. DFT and DFT + DMFT calculations suggest that the insulating state originates from an orbitally selective transition sensitive to the nominal valence of the Co-d shell. The metastable BCT-BaCoO 3 phase cannot be retained in pure form at ambient pressure but can be stabilized by embedding it in a disordered mixture, offering a potential route to discover and preserve other high-pressure phases under ambient conditions.

Magnetic properties↗

NASA NTRS1999

Radar Reconnaissance of Near-Earth Asteroids

Groundbased radar observations of NEAs can help identify space resources with commercial potential and can dramatically reduce the cost and risk of the initial spacecraft missions to those objects. The near-Earth asteroid (NEA) population is thought to contain approximately 1500 objects as large as a kilometer, approximately 300,000 as large as 100 meters, and more than 100,000,000 as large as 10 meters. More than 10% of the NEAs are more accessible in terms of mission delta-V (i.e., fuel required) than the Moon, Mars, or the moons of Mars. Fewer than 1000 NEAs have been found, but the discovery rate is increasing rapidly. Once an asteroid is discovered (necessarily by wide-field optical telescopes), radar can provide otherwise unavailable information about its size, shape, spin state, and surface properties if it approaches within the range of the Goldstone (California) or Arecibo (Puerto Rico) radar telescopes. Asteroids generally appear as unresolved points through groundbased optical telescopes, but radar measurements of the distribution of echo power in time delay (range) and Doppler frequency (radial velocity) can yield images with resolution as fine as a decameter. Image sequences that furnish adequate orientational coverage can be inverted to construct geologically detailed 3-D models, to define the rotation state precisely, and to constrain the object's internal density distribution. Estimates of radar scattering properties characterize the surface's cm-to-m-scale roughness as well as its bulk density, which for asteroids depends primarily on porosity and metal concentration. A useful spin-off of radar detection is orbit refinement that simplifies navigation of flyby and rendezvous spacecraft.

Ostro, S. J.↗

NASA NTRS1999

Radar Reconnaissance of Near-Earth Asteroids

Groundbased radar observations of NEAs can help identify space resources with commercial potential and can dramatically reduce the cost and risk of the initial spacecraft missions to those objects. The near Earth asteroid (NEA) population is thought to contain approx. 1500 objects as large as a kilometer, approx. 300,000 as large as 100 meters, and more than 100,000,000 as large as 10 meters. More than 10% of the NEAs are more accessible in terms of mission delta-V (i.e., fuel required) than the Moon, Mars, or the moons of Mars. Fewer than 1000 NEAs have been found, but the discovery rate is increasing rapidly. Once an asteroid is discovered (necessarily by wide-field optical telescopes), radar can provide otherwise unavailable information about its size, shape, spin state, and surface properties if it approaches within the range of the Goldstone (California) or Arecibo (Puerto Rico) radar telescopes. Asteroids generally appear as unresolved points through groundbased optical telescopes, but radar measurements of the distribution of echo power in time delay (range) and Doppler frequency (radial velocity) can yield images with resolution as fine as a decameter. Image sequences that furnish adequate orientational coverage can be inverted to construct geologically detailed 3-D models, to define the rotation state precisely, and to constrain the object's internal density distribution. Estimates of radar scattering properties characterize the surface's cm-to-m-scale roughness as well as its bulk density, which for asteroids depends primarily on porosity and metal concentration. A useful spin-off of radar detection is orbit refinement that simplifies navigation of flyby and rendezvous spacecraft.

Ostro, S. J.↗

DOE OSTI2024

Chemical Design of Spin Frustration to Realize Topological Spin Glasses

Patterning spins to generate collective behavior is at the core of condensed matter physics. Physicists develop techniques, including the fabrication of magnetic nanostructures and precision layering of materials specifically to engender frustrated lattices. As chemists, we can access such exotic materials through targeted chemical synthesis and create new lattice types by chemical design. Here, in this study, we introduce a new approach to induce magnetic frustration on a modified honeycomb lattice through a competition of alternating antiferromagnetic (AFM) and ferromagnetic (FM) nearest-neighbor interactions. By subtly modulating these two types of interactions through facile synthetic modifications, we created two systems: (1) a topological spin glass and (2) a frustrated spin-canted magnet with low-temperature exchange bias. To design this unconventional magnetic lattice, we used a metal–organic framework (MOF) platform, Ni 3 (pymca) 3 X 3 (NipymcaX where pymca = pyrimidine-2-carboxylato and X = Cl, Br). We isolated two MOFs, NipymcaCl and NipymcaBr, featuring canted Ni 2+ -based moments. Despite this similarity, differences in the single-ion anisotropies of the Ni 2+ spins result in distinct magnetic properties for each material. NipymcaCl is a topological spin glass, while NipymcaBr is a rare frustrated magnet with low-temperature exchange bias. Density functional theory calculations and Monte Carlo simulations on the NipymcaX lattice support the presence of magnetic frustration as a result of alternating AFM and FM interactions. Our calculations enabled us to determine the ground-state spin configuration and the distribution of spin–spin correlations relative to paradigmatic kagomé and triangular lattices. This modified honeycomb lattice is similar to the electronic Kekulé-O phase in graphene and provides a highly tunable platform to realize unconventional spin physics.

Exchange bias↗

NASA NTRS2003

Dyakonov-Perel Effect on Spin Dephasing in n-Type GaAs

A paper presents a study of the contribution of the Dyakonov-Perel (DP) effect to spin dephasing in electron-donor-doped bulk GaAs in the presence of an applied steady, moderate magnetic field perpendicular to the growth axis of the GaAs crystal. (The DP effect is an electron-wave-vector-dependent spin-state splitting of the conduction band, caused by a spin/orbit interaction in a crystal without an inversion center.) The applicable Bloch equations of kinetics were constructed to include terms accounting for longitudinal optical and acoustic phonon scattering as well as impurity scattering. The contributions of the aforementioned scattering mechanisms to spin-dephasing time in the presence of DP effect were examined by solving the equations numerically. Spin-dephasing time was obtained from the temporal evolution of the incoherently summed spin coherence. Effects of temperature, impurity level, magnetic field, and electron density on spin-dephasing time were investigated. Spin-dephasing time was found to increase with increasing magnetic field. Contrary to predictions of previous simplified treatments of the DP effect, spin-dephasing time was found to increase with temperature in the presence of impurity scattering. These results were found to agree qualitatively with results of recent experiments.

Ning, C. Z.↗

DOE OSTI2024

M PX 3 van der Waals magnets under pressure ( M = Mn, Ni, V, Fe, Co, Cd; X = S, Se)

van der Waals antiferromagnets with chemical formula MPX 3 (M = V, Mn, Fe, Co, Ni, Cd; X = S, Se) are superb platforms for exploring the fundamental properties of complex chalcogenides, revealing their structure-property relations and unraveling the physics of confinement. Pressure is extremely effective as an external stimulus, able to tune properties and drive new states of matter. In this review, we summarize experimental and theoretical progress to date with special emphasis on the structural, magnetic, and optical properties of the MPX 3 family of materials. Under compression, these compounds host inter-layer sliding and insulator-to-metal transitions accompanied by dramatic volume reduction and spin state collapse, piezochromism, possible polar metal and orbital Mott phases, as well as superconductivity. Some responses are already providing the basis for spintronic, magneto-optic, and thermoelectric devices. We propose that strain may drive similar functionality in these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Alternant Hydrocarbon Diradicals as Optically Addressable Molecular Qubits

High-spin molecules allow for bottom-up qubit design and are promising platforms for magnetic sensing and quantum information science. Optical addressability of molecular electron spins has also been proposed in first-row transition-metal complexes via optically detected magnetic resonance (ODMR) mechanisms analogous to the diamond-nitrogen-vacancy color center. However, significantly less progress has been made on the front of metal-free molecules, which can deliver lower costs and milder environmental impacts. At present, most luminescent open-shell organic molecules are π-diradicals, but such systems often suffer from poor ground-state open-shell characters necessary to realize a stable ground-state molecular qubit. In this work, we use alternancy symmetry to selectively minimize radical–radical interactions in the ground state, generating π-systems with high diradical characters. We call them m-dimers, referencing the need to covalently link two benzylic radicals at their meta carbon atoms for the desired symmetry. Through a detailed electronic structure analysis, we find that the excited states of alternant hydrocarbon m-diradicals contain important symmetries that can be used to construct ODMR mechanisms leading to ground-state spin polarization. Furthermore, the molecular parameters are set in the context of a tris(2,4,6-trichlorophenyl)methyl (TTM) radical dimer covalently tethered at the meta position, demonstrating the feasibility of alternant m-diradicals as molecular color centers.

Chemistry↗

DOE OSTI2024

High-field/high-frequency electron spin resonances of Fe-doped β − Ga 2 O 3 by terahertz generalized ellipsometry: Monoclinic symmetry effects

We demonstrate detection and measurement of electron paramagnetic spin resonances (EPR) of iron defects in β − Ga 2 O 3 utilizing generalized ellipsometry at frequencies between 110 and 170 GHz. The experiments are performed on an Fe-doped single crystal in a free-beam configuration in reflection at 45 ∘ and magnetic fields between 3 and 7 T. In contrast with low-field, low-frequency EPR measurements, we observe all five transitions of the s = 5 / 2 high-spin state Fe 3 + simultaneously. We confirm that ferric Fe 3 + is predominantly found at octahedrally coordinated Ga sites. We obtain the full set of fourth-order monoclinic zero-field splitting parameters for both octahedrally and tetrahedrally coordinated sites by employing measurements at multiple sample azimuth rotations. The capability of high-field EPR allows us to demonstrate that simplified second-order orthorhombic spin Hamiltonians are insufficient, and fourth-order terms as well as consideration of the monoclinic symmetry are needed. These findings are supported by computational approaches based on density-functional theory for second-order and on ligand-field theory for fourth-order parameters of the spin Hamiltonian. Terahertz ellipsometry is a way to measure spin resonances in a cavity-free setup. Its possibility of varying the probe frequency arbitrarily without otherwise changing the experimental setup offers unique means of truly disentangling different components of highly anisotropic spin Hamiltonians. Published by the American Physical Society 2024

Materials Science↗

DOE OSTI2026

Dirac Fermions and Flat Bands in Phosphorus Carbide Nanotubes: Structural and Quantum Phase Transitions in a Quasi-One-Dimensional Material

Chemically realistic quasi-one-dimensional (1D) materials in which Dirac Fermions and highly degenerate flat bands coexist intrinsically at the Fermi level are exceedingly rare, while representing a highly desirable platform for correlated and topological quantum phenomena. Here, in this work, using specialized symmetry-adapted first-principles calculations we predict a new class of nanomaterials─phosphorus carbide nanotubes (P 2 C 3 NTs)─obtained by rolling monolayer P 2 C 3 , a two-dimensional material shown in a previous letter to host “double Kagome bands”. Both armchair and zigzag P 2 C 3 NTs are stable at room temperature and feature the rare coexistence of Dirac crossings and multiple flat bands at the Fermi level inherited from the underlying honeycomb–Kagome lattice, with the flat bands resilient to elastic deformations. Under large strain, the structure transforms from honeycomb–Kagome to “brick-wall”, accompanied by multiple coupled structural and quantum phase transitions. We also uncover localized edge states, spin splitting from vacancies and dopants, and strain-tunable magnetism. Together, these results establish P 2 C 3 NTs as a chemically specific and mechanically tunable 1D material platform with potential applications in quantum hardware and spintronics.

carbon nanotubes↗

DOE OSTI2024

Quantum control and Berry phase of electron spins in rotating levitated diamonds in high vacuum

Levitated diamond particles in high vacuum with internal spin qubits have been proposed for exploring macroscopic quantum mechanics, quantum gravity, and precision measurements. The coupling between spins and particle rotation can be utilized to study quantum geometric phase, create gyroscopes and rotational matter-wave interferometers. However, previous efforts in levitated diamonds struggled with vacuum level or spin state readouts. To address these gaps, we fabricate an integrated surface ion trap with multiple stabilization electrodes. This facilitates on-chip levitation and, for the first time, optically detected magnetic resonance measurements of a nanodiamond levitated in high vacuum. The internal temperature of our levitated nanodiamond remains moderate at pressures below 10 -5 Torr. We have driven a nanodiamond to rotate up to 20 MHz (1.2 × 10 9 rpm), surpassing typical nitrogen-vacancy (NV) center electron spin dephasing rates. Using these NV spins, we observe the effect of the Berry phase arising from particle rotation. In addition, we demonstrate quantum control of spins in a rotating nanodiamond. These results mark an important development in interfacing mechanical rotation with spin qubits, expanding our capacity to study quantum phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1972

Attitude control of a spinning Skylab.

Active attitude control of a spinning Skylab is analyzed to determine a simple control law that will provide a satisfactory response, considering the dynamics of attached flexible appendages. A simplified model of the complex Skylab vehicle is selected to make it analytically tractable. The vehicle is modeled as a single rigid-core body with two attached flexible massless booms having masses on their tips. The equations of motion describing the attitude dynamics of the model are presented as a linear matrix-differential equation. The states of the vehicle are small perturbations about its steady-state spin. An analysis is performed to determine the domain of stability. Next, attitude dynamics are analyzed; both frequency domain (parameter plane) and time domain (an optimal linear quadratic loss program) techniques are compared. An analysis of the nonlinear effect of control torque saturation of Skylab's control moment gyroscopes is discussed. The results of the analysis compare favorably with a large-scale digital simulation of the Skylab.

Seltzer, S. M.↗