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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Spin–Lattice Relaxation Decoherence Suppression in Vanishing Orbital Angular Momentum Qubits

Multifrequency electron paramagnetic resonance spectroscopy on oriented single crystals of magnetically dilute Gd(III) ions in Gd 0.004 Y 0.996 (trensal) is used to determine the Hamiltonian parameters of the ground 8 S 7/2 term and its phase memory time, Tm, characterizing its coherent spin dynamics. Here, the vanishing orbital angular momentum of the 8 S 7/2 term makes it relatively insensitive to spin–lattice relaxation mediated by magnetoelastic coupling and leads to a T m of 12 μs at 3 K, which is not limited by spin–lattice relaxation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Nonlocal features of the spin-orbit exciton in Kitaev materials

A comparative resonant inelastic x-ray scattering (RIXS) study of three well-known Kitaev materials is presented: 𝛼−Li 2 ⁢IrO 3 , Na 2 ⁢IrO 3 , and 𝛼−RuCl 3 . Despite similar low-energy physics, these materials show distinct electronic properties, such as the large difference in the size of the charge gap. The RIXS spectra of the spin-orbit exciton for these materials show remarkably similar three-peak features, including sharp low energy peak (peak A) as well as transitions between 𝑗 eff = 1/2 and 𝑗 eff = 3/2 states. Comparison of experimental spectra with cluster calculations reveals that the observed three-peak structure reflects the significant role that nonlocal physics plays in the electronic structure of these materials. Here, in particular, the low-energy peak A arises from a holon-doublon pair rather than a conventional particle-hole exciton as proposed earlier. Our study suggests that while spin-orbit assisted Mott insulator is still the best description for these materials, electron itinerancy cannot be ignored when formulating low-energy Hamiltonian of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Secular Resonances in Nonrestricted Hierarchical Triple Systems

In this paper, the averaged Hamiltonian of a nonrestricted hierarchical triple system truncated at the third order is investigated. First, each secular resonant term is studied. For the well-studied secular quadrupole theory, it is analytically reformulated in a different manner in our work. The resonance width is numerically determined and displayed on the √(1−e{sub 1}{sup 2})−√(1−e{sub 2}{sup 2}) plane (also denoted as the e-tilde {sub 1}− e-tilde {sub 2} plane). In terms of the octupole terms, we show that for a near-planar configuration of the system, considerable variations of both the eccentricities of the inner and outer orbits can be generated by a single resonant term. The resonance width for every secular resonant angle from the octupole terms is also numerically determined and displayed on the e-tilde {sub 1}− e-tilde {sub 2} plane. The results show that an orbit flip with a near-perpendicular initial mutual inclination is possible for each secular resonance. By displaying the resonance widths of different resonant terms on the same e-tilde {sub 1}− e-tilde {sub 2} plane, we intuitively show the overlap of different secular resonances. Then, the full averaged Hamiltonian with both quadrupole and octupole terms is investigated using the Poincaré surface of section, with a special focus on the orbit flip. For the cases we exploited, we find that the near-planar flip of the inner orbit can be either regular or chaotic while the outer orbit flip is generally chaotic.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Unraveling the Orbital Physics in a Canonical Orbital System KCuF 3

We explore the existence of the collective orbital excitations, orbitons, in the canonical orbital system KCuF 3 using the Cu L 3 -edge resonant inelastic x-ray scattering. We show that the nondispersive high-energy peaks result from the Cu 2+ dd orbital excitations. These high-energy modes display good agreement with the ab initio quantum chemistry calculation, indicating that the d d excitations are highly localized. At the same time, the low-energy excitations present clear dispersion. They match extremely well with the two-spinon continuum following the comparison with Müller ansatz calculations. The localized d d excitations and the observation of the strongly dispersive magnetic excitations suggest that the orbiton dispersion is below the resolution detection limit. Our results can reconcile with the strong local Jahn-Teller effect in KCuF 3 , which predominantly drives orbital ordering.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Tunable magnons of an antiferromagnetic Mott insulator via interfacial metal-insulator transitions

Antiferromagnetic insulators present a promising alternative to ferromagnets due to their ultrafast spin dynamics essential for low-energy terahertz spintronic device applications. Magnons, i.e., quantized spin waves capable of transmitting information through excitations, serve as a key functional element in this paradigm. However, identifying external mechanisms to effectively tune magnon properties has remained a major challenge. Here we demonstrate that interfacial metal-insulator transitions offer an effective method for controlling the magnons of Sr 2 IrO 4 , a strongly spin-orbit coupled antiferromagnetic Mott insulator. Resonant inelastic x-ray scattering experiments reveal a significant softening of zone-boundary magnon energies in Sr 2 IrO 4 films epitaxially interfaced with metallic 4 d transition-metal oxides. Therefore, the magnon dispersion of Sr 2 IrO 4 can be tuned by metal-insulator transitions of the 4 d transition-metal oxides. We tentatively attribute this non-trivial behavior to a long-range phenomenon mediated by magnon-acoustic phonon interactions. Our experimental findings introduce a strategy for controlling magnons and underscore the need for further theoretical studies to better understand the underlying microscopic interactions between magnons and phonons.

magnetic properties and materials↗
DOE OSTI2024

Active control of Alfvén eigenmodes by external magnetic perturbations with different spatial spectra

Alfvén eigenmodes have been suppressed and excited in tokamak plasmas by (just) modifying the poloidal spectra of externally applied static magnetic perturbations. This effect is observed experimentally when toroidal spectra of n = 2, n = 4 as well as a mixed spectrum of n = 2 and n = 4 is applied. Under the n = 2 magnetic perturbations, the modes are excited or suppressed by modifying the coil phasing between the upper and the lower set of coils. Regardless of the absolute rotation, an even parity for the n = 4 perturbation is observed to reduce the amplitude of the Alfvénic instabilities, while an odd parity amplifies it. To combine the stabilizing (and destabilizing) effect of n = 2 and n = 4, a mixed spectrum is applied, finding similar reduction (and amplification) trends. However, the impact on the mode amplitude is more subtle, due to the reduced coil current required for a mixed spectrum. The signal level on the fast-ion loss detector is sensitive to the applied poloidal spectrum, which is consistent with Hamiltonian full-orbit modelling of an edge resonant transport layer activated by the 3D perturbative fields. An internal redistribution of the fast-ion population is induced, modifying the phase-space gradients driving the Alfvénic instabilities, and ultimately determining their existence. The calculated edge resonant layers for both n = 2 and n = 4 toroidal spectra are consistent with the observed suppressed and excited phases. Moreover, hybrid kinetic-magnetohydrodynamic (MHD) simulations reveal that this edge resonant transport layer overlaps in phase-space with the population responsible for the fast-ion drive. The results presented here may help to control fast-ion driven Alfvénic instabilities in future burning plasmas with a significant fusion born alpha particle population.

Alfvén waves↗
DOE OSTI2020

Vanadium spin qubits as telecom quantum emitters in silicon carbide

Solid-state quantum emitters with spin registers are promising platforms for quantum communication, yet few emit in the narrow telecom band necessary for low-loss fiber networks. Here, we create and isolate near-surface single vanadium dopants in silicon carbide (SiC) with stable and narrow emission in the O band, with brightness allowing cavity-free detection in a wafer-scale material. In vanadium ensembles, we characterize the complex d 1 orbital physics in all five available sites in 4H-SiC and 6H-SiC. The optical transitions are sensitive to mass shifts from local silicon and carbon isotopes, enabling optically resolved nuclear spin registers. Optically detected magnetic resonance in the ground and excited orbital states reveals a variety of hyperfine interactions with the vanadium nuclear spin and clock transitions for quantum memories. Last, we demonstrate coherent quantum control of the spin state. These results provide a path for telecom emitters in the solid state for quantum applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Molecular NMR shieldings, J -couplings, and magnetizabilities from numeric atom-centered orbital based density-functional calculations

This paper reports and benchmarks a new implementation of nuclear magnetic resonance shieldings, magnetizabilities, and J-couplings for molecules within semilocal density functional theory, based on numeric atom-centered orbital (NAO) basis sets. NAO basis sets are attractive for the calculation of these nuclear magnetic resonance (NMR) parameters because NAOs provide accurate atomic orbital representations especially near the nucleus, enabling high-quality results at modest computational cost. Moreover, NAOs are readily adaptable for linear scaling methods, enabling efficient calculations of large systems. Here, the paper has five main parts: (1) It reviews the formalism of density functional calculations of NMR parameters in one comprehensive text to make the mathematical background available in a self-contained way. (2) The paper quantifies the attainable precision of NAO basis sets for shieldings in comparison to specialized Gaussian basis sets, showing similar performance for similar basis set size. (3) The paper quantifies the precision of calculated magnetizabilities, where the NAO basis sets appear to outperform several established Gaussian basis sets of similar size. (4) The paper quantifies the precision of computed J-couplings, for which a group of customized NAO basis sets achieves precision of ~Hz for smaller basis set sizes than some established Gaussian basis sets. (5) The paper demonstrates that the implementation is applicable to systems beyond 1000 atoms in size.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Resonant Auger decay of dissociating CH 3 I near the I 4d threshold

Resonant Auger processes provide a unique perspective on electronic interactions and excited vibrational and electronic states of molecular ions. Here, new data are presented on the resonant Auger decay of excited CH 3 I in the region just below the I 4d -1 ionization threshold. The resonances include the Rydberg series converging to the five spin–orbit and ligand-field split CH 3 I (I 4d -1 ) thresholds, as well as resonances corresponding to excitation from the I 4d 5/2,3/2 orbitals into the σ* lowest unoccupied molecular orbital. This study focuses on participator decay that populates the lowest lying states of CH 3 I + , in particular, the X̃ 2 E 3/2 and 2 E 1/2 states, and on spectator decay that populates the lowest-lying (CH 3 I 2+ )σ* states of CH 3 I + . The CH 3 I (I 4d -1 )σ* resonances are broad, and dissociation to CH 3 + I competes with the autoionization of the core-excited states. Auger decay as the molecule dissociates produces a photoelectron spectrum with a long progression (up to v 3 + ~ 25) in the C–I stretching mode of the X̃ 2 E 3/2 and 2 E 1/2 states, providing insights into the shape of the dissociative core-excited surface. Further, the observed spectator decay processes indicate that CH 3 I + is formed on the repulsive wall of the lower-lying (CH 3 I 2+ )σ* potentials, and the photon-energy dependence of the processes provides insights into the relative slopes of the (4d -1 )σ* and (CH 3 I 2+ )σ* potential surfaces. Data are also presented for the spectator decay of higher lying CH 3 I (I 4d -1 )nl Rydberg resonances. Photoelectron angular distributions for the resonant Auger processes provide additional information that helps distinguish these processes from the direct ionization signal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Total Angular Momentum Dichroism of the Terahertz Vortex Beams at the Antiferromagnetic Resonances

Here, terahertz vortex beams with different superposition of the orbital angular momentum $\textit{l}$ = ± 1, ±2, ±3, and ±4 and spin angular momentum σ = ±1 were used to study antiferromagnetic (AFM) resonances in TbFe 3 (BO 3 ) 4 and Ni 3 TeO 6 single crystals. In both materials we observed a strong vortex beam dichroism for the AFM resonances that are split in external magnetic field. The magnitude of the vortex dichroism is comparable to that for conventional circular dichroism due to σ. The selection rules at the AFM resonances are governed by the total angular momentum of the vortex beam: $\textit{j}$ = σ + $\textit{l}$. In particular, for $\textit{l}$ = ±2, ±3, and ±4 the sign of $\textit{l}$ is shown to dominate over that for conventional circular polarization σ.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Monoatomic orbital-based one-dimensional topological crystalline insulator

The bulk-boundary correspondence in topological crystalline insulators (TCIs) links the topological properties of the bulk to robust observables on the edges, e.g., the existence of robust edge modes or fractional charge. In one dimension, TCIs protected by reflection symmetry have been realized in a variety of systems in which each unit cell has spatially distributed degrees of freedom (SDOF). However, these realizations exhibit sensitivity of the resulting edge modes to variations in edge termination and to the local breaking of the protective spatial symmetries by inhomogeneity. Here we demonstrate topologically protected edge states in a monoatomic, orbital-based TCI that mitigates both of these issues. By collapsing all SDOF within the unit cell to a singular point in space, we eliminate the ambiguity in unit-cell definition and hence remove a prominent source of boundary termination variability. The topological observables are also more tolerant to disorder in the orbital energies. To validate this concept, we experimentally realize a lattice of mechanical resonators where each resonator acts as an “atom” that harbors two key orbital degrees of freedom having opposite reflection parity. Finally, our measurements of this system provide direct visualization of the sp-hybridization between orbital modes that leads to a nontrivial band inversion in the bulk.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Paraxial, Thin-Lens Analysis of Fixed-Tune, Non-Scaling FFAs with Two Magnets per Cell

Fixed-field accelerators (FFAs) have closed orbits that change as a function of beam momentum. It is sometimes useful to avoid various resonances by keeping the tunes constant as these orbits change. A well-known example is the scaling FFA where the entire beam orbit and optics are geometrically scaled as a function of momentum. However, this is stricter than necessary: cells with three or more lenses can have fixed tunes even when the focussing strengths in the lenses change. Recently, Dejan Trbojevic has found a pair of nonlinear magnets that produce fixed tunes and fixed beta functions while not being a scaling FFA. This improves on a more approximate solution in. Notably a scaling FFA would require one magnet to be entirely reverse-bending, whereas the Trbojevic solution does not do this and instead resembles an intermediate point between the traditional scaling field profiles and the nonscaling profiles centred around a momentum with equal and positive fields. This suggests there are at least three levels of stringency that one can apply to a fixed-tune FFA design: 1. Fixed cell tunes (in both planes) as a function of momentum; 2. Fixed optics (beta functions) as a function of momentum; 3. Similarity of all orbits via a scaling symmetry law ↔ traditional scaling FFA. This note studies the interesting case #2 above (#3 being fully characterised by the orbit at a single energy) in the simplest possible example: a cell of two thin lenses in the small angle (paraxial) approximation.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Dependence of alpha-particle-driven Alfven eigenmode linear stability on device magnetic field strength and consequences for next-generation tokamaks

Recently-proposed tokamak concepts use magnetic fields up to 12 T, far higher than in conven- tional devices, to reduce size and cost. Theoretical and computational study of trends in plasma behavior with increasing field strength is critical to such proposed devices. This paper considers trends in Alfven eigenmode (AE) stability. Energetic particles, including alphas from D-T fusion, can destabilize AEs, possibly causing loss of alpha heat and damage to the device. AEs are sensitive to device magnetic field via the field dependence of resonances, alpha particle beta, and alpha orbit width. We describe the origin and effect of these dependences analytically and by using recently- developed numerical techniques (Rodrigues et al. 2015 Nucl. Fusion 55 083003). The work suggests high-field machines where fusion-born alphas are sub-Alfvenic or nearly sub-Alfvenic may partially cut off AE resonances, reducing growth rates of AEs and the energy of alphas interacting with them. High-field burning plasma regimes have non-negligible alpha particle beta and AE drive, but faster slowing down time, provided by high electron density, and higher field strength reduces this drive relative to low-field machines with similar power densities. The toroidal mode number of the most unstable modes will tend to be higher in high magnetic field devices. The work suggests that high magnetic field devices have unique, and potentially advantageous, AE instability properties at both low and high densities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Effects of Anisotropic Strain on Spin–Orbit Torque Produced by the Dirac Nodal Line Semimetal IrO 2

We report spin-torque ferromagnetic resonance studies of the efficiency of the damping-like (ξ DL ) spin–orbit torque exerted on an adjacent ferromagnet film by current flowing in epitaxial (001) and (110) IrO 2 thin films. IrO 2 possesses Dirac nodal lines (DNLs) in the band structure that are gapped by spin–orbit coupling, which could enable a very high spin Hall conductivity, σ SH . We find that the (001) films do exhibit exceptionally high ξ DL ranging from 0.45 at 293 K to 0.65 at 30 K, which sets the lower bounds of σ SH to be 1.9 × 10 5 and 3.75 × 10 5 Ω –1 m –1 , respectively, 10 times higher and of opposite sign than the theoretical prediction. Furthermore, ξ DL and σ SH are substantially reduced in anisotropically strained (110) films. Here, we suggest that this high sensitivity to anisotropic strain is because of changes in contributions to σ SH near the DNLs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Resonant alpha particle loss in stellarators

Particle resonances in stellarators can produce islands in the space of passing particle orbits without the presence of an unstable Alfven mode, provided the period of the resonance matches the period of the equilibrium magnetic field. In this case, the equilibrium itself plays the role of a mode amplitude, and the islands appear on surfaces where the orbital helicity matches the field period. At low energy, these surfaces are given by the field line helicity, but at higher energy, cross field drift causes them to move. The resonances are also felt by trapped particles bouncing back and forth on surfaces with matching helicity. The periodic variation of B along these orbits produces local wells, giving loss due to drift while trapped in a well. Stellarator designs that have equilibrium-induced resonance islands exhibit anomalous alpha particle loss and are unsuitable for reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Spin and orbital excitations through the metal-to-insulator transition in Cd 2 Os 2 O 7 probed with high-resolution resonant inelastic x-ray scattering

Here, high-resolution resonant inelastic x-ray scattering measurements (ΔE=46meV) have been performed on Cd 2 Os 2 O 7 through the metal-to-insulator transition (MIT). A magnetic excitation at 125 meV evolves continuously through the MIT, in agreement with recent Raman-scattering results, and provides further confirmation for an all-in all-out magnetic ground state. Asymmetry of this feature is likely a result of coupling between the electronic and the magnetic degrees of freedom. We also observe a broad continuum of interband excitations centered at 0.3 eV energy loss. This is indicative of significant hybridization between Os 5d and O 2p states and the concurrent itinerant nature of the system. In turn, this suggests a possible breakdown of the free-ion model for Cd 2 Os 2 O 7 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Characterization of dot-specific and tunable effective g factors in a GaAs/AlGaAs double quantum dot single-hole device

Difference in g factors in multidot structures can form the basis of dot-selective spin manipulation under global microwave irradiation. Here employing electric dipole spin resonance facilitated by strong spin-orbit interaction (SOI), we observe differences in the extracted values of the single-hole effective g factors of the constituent quantum dots of a GaAs/AlGaAs double quantum dot device at the level of ~ 5 %–10%. We examine the continuous change in the hole g factor with electrical detuning over a wide range of interdot tunnel couplings and for different out-of-plane magnetic fields. The observed tendency of the quantum dot effective g factors to steadily increase on decreasing the interdot coupling or on increasing the magnetic field is attributed to the impact on the SOI of changing the dot confinement potential and heavy-hole light-hole mixing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗