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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

TESS Reveals HD 118203 b to be a Transiting Planet

The exoplanet HD 118203 b, orbiting a bright (V = 8.05) host star, was discovered using the radial velocity method by da Silva et al., but was not previously known to transit. Transiting Exoplanet Survey Satellite (TESS) photometry has revealed that this planet transits its host star. Nine planetary transits were observed by TESS, allowing us to measure the radius of the planet to be 1.136{sub −0.028}{sup +0.029}R{sub J}, and to calculate the planet mass to be 2.166{sub −0.079}{sup +0.074}M{sub J}. The host star is slightly evolved with an effective temperature of T{sub eff}=5683{sub −85}{sup +84} K and a surface gravity of log g=3.889{sub 0.018}{sup 0.017}. With an orbital period of 6.134985{sub −0.000030}{sup +0.000029} days and an eccentricity of 0.314 ± 0.017, the planet occupies a transitional regime between circularized hot Jupiters and more dynamically active planets at longer orbital periods. The host star is among the 10 brightest known to have transiting giant planets, providing opportunities for both planetary atmospheric and asteroseismic studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Photon energy and polarization-dependent electronic structure of Cr-doped Bi 2 Se 3

In this article, we report a comparative study of the electronic structure of Cr-doped and pristine Bi 2 Se 3 . Circular dichroism and photon-energy-dependent angle-resolved photoemission experiments were performed. Even though the surface states seen on the Cr-doped samples are gapped, they exhibit strong circular dichroism, for which we provide its origin in accordance with the nontrivial band structure of the bulk. We note the surface electronic structure measurements with linear and circular polarized light show signatures that the orbital composition of the surface states is changed with Cr doping. Our observations not only provide further spectroscopic information about topological materials, but also promotes an alternative experimental tool to control their spin-orbital texture.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Origin of Large Effective Phonon Magnetic Moments in Monolayer MoS 2

Recent helicity-resolved magneto-Raman spectroscopy measurement demonstrates large effective phonon magnetic moments of ~2.5 μ B in monolayer MoS 2 , highlighting resonant excitation of bright excitons as a feasible route to activate Γ-point circularly polarized phonons in transition metal dichalcogenides. However, a microscopic picture of this intriguing phenomenon remains lacking. In this work, we show that an orbital transition between the split conduction bands (Δ 0 = 4 meV) of MoS 2 couples to the doubly degenerate E" phonon mode (Ω 0 = 33 meV), forming two hybridized states. Our phononic and electronic Raman scattering measurements capture these two states: (i) one with predominantly phonon contribution in the helicity-switched channels and (ii) one with primarily orbital contribution in the helicity-conserved channels. An orbital-phonon coupling model successfully reproduces the large effective magnetic moments of the circularly polarized phonons and explains their thermodynamic properties. Strikingly, the Raman mode from the orbital transition is superimposed on a strong quasi-elastic scattering background, indicating the presence of spin fluctuations. As a result, the electrons excited to the conduction bands through the exciton exhibit paramagnetic behavior although MoS 2 is generally considered as a nonmagnetic material. By depositing nanometer-thickness nickel thin films on monolayer MoS 2 , we tune the electronic structure so that the A exciton perfectly overlaps with the 633 nm laser. The optimization of resonance excitation leads to pronounced tunability of the orbital-phonon hybridized states. Our results generalize the orbital-phonon coupling model of effective phonon magnetic moments to material systems beyond the paramagnets and magnets.

2D transition metal dichalcogenide↗
DOE OSTI2021

Rare-earth orbital moment contributions to the magnetic anisotropy in magnetostrictive Tb0.3Dy0.7Fe2

Soft x-ray Magnetic Circular Dichroism spectroscopy at the Dy and Tb M4,5 and the Fe L2,3 edges was performed on a sputter deposited polycrystalline Terfenol-D (Tb0.3Dy0.7Fe2) film on sapphire substrates at temperatures from 100 to 300 K to evaluate the elementwise contribution to the magnetocrystalline anisotropy and coercive field. The elemental spin and orbital magnetic moments were calculated using the x-ray Magnetic Circular Dichroism sum rules. As temperatures decreased, the Tb and Fe moments plateau at 200 K with values of 7.6 μB/atom and 1.8 μB/atom, respectively, while the Dy moment increases to 8.9 μB/atom at 100 K. Between 300 and 200 K, the change in magnetic anisotropy is dominated by thermally induced magnetoelastic effects while for temperatures below 200 K magnetocrystalline anisotropy (MCA) changes are dominant. The MCA changes below 200 K appear to be due to increases in the Dy orbital moment with decreasing temperature in this temperature regime.

Shirazi, Paymon (ORCID:0000000256954597)↗
DOE OSTI2020

Identifying Photoinduced Dipolar Polarization and Orbit–Orbit Interaction between Excitons in Organic–Inorganic Hybrid Perovskites

Abstract Photoinduced polarization and orbit–orbit interaction are important issues in hybrid perovskites toward developing optoelectronic functionalities. This paper identifies that photoinduced polarization occurs in hybrid perovskites with mixed‐cation methylammonium (MA)/formamidinium (FA) (MA x FA (1− x ) PbI 3 ) by measuring bulk polarization at 1 MHz in a magnetic field. Interestingly, when the internal dipole moment is increased upon increasing the MA:FA ratio, the photoinduced dipolar polarization can be substantially enhanced, clarifying the controversial issue of whether photoexcitation can induce a dielectric polarization within dipolar polarization regime in hybrid perovskites. Furthermore, upon increasing photoinduced dipolar polarization, it is found that the intrinsic orbit–orbit interaction between excitons can be increased, revealed by monitoring photocurrent change (Δ J sc ) upon switching the photoexcitation between linear and circular polarizations. This presents that organic cations are directly involved in the orbit–orbit interaction within band structures. Clearly, the studies provide an insightful understanding of the dipole moment effects on photoinduced dipolar polarization and orbit–orbit interaction between excitons in hybrid perovskites toward controlling the optoelectronic properties.

Dou, Yixuan↗
DOE OSTI2022

Contracting and Expanding Binary Black Holes in 3D Low-mass AGN Disks: The Importance of Separation

LIGO/Virgo has detected several binary black hole (BBH) merger events that may have originated in the accretion disks of active galactic nuclei (AGNs). These events require individual black hole masses that fall within the pair instability supernova mass gap, and therefore these black holes may have been grown from hierarchical mergers. AGN disks are a prime environment for hierarchical mergers and thus a potential location for the progenitors of BBH gravitational wave events. Understanding how a BBH embedded in an AGN disk interacts with the surrounding environment is thus crucial for determining whether this interaction can lead to its merger. However, there are few high-fidelity simulations of this process, and almost all are two-dimensional. We present the results from 3D, high-resolution, local shearing-box simulations of an embedded BBH interacting with an AGN disk. In these first simulations of their kind, we focus on determining the mass accretion rate and the orbital evolution rate at different BBH separations. We find that circular, equal-mass BBHs with separations greater than 10% of their Hill radius contract while accreting at a super-Eddington rate. At smaller separations, however, our 3D simulations find that BBHs expand their orbits. This result suggests that it may be difficult for an AGN disk to push a BBH to merger, but we discuss several mechanisms, including MHD turbulence and radiative and mechanical feedback, which could alleviate this difficulty.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Evidence of dynamical effects and critical field in a cobalt spin crossover complex

The [Co(SQ) 2 (4-CN-py) 2 ] complex exhibits dynamical effects over a wide range of temperature. Additionally, the orbital moment, determined by X-ray magnetic circular dichroism (XMCD) with decreasing applied magnetic field, indicates a nonzero critical field for net alignment of magnetic moments, an effect not seen with the spin moment of [Co(SQ) 2 (4-CN-py) 2 ].

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

Direct observation of the magnetic anisotropy of an Fe(II) spin crossover molecular thin film

Abstract In this work, we provide clear evidence of magnetic anisotropy in the local orbital moment of a molecular thin film based on the SCO complex [Fe(H 2 B(pz) 2 ) 2 (bipy)] (pz = pyrazol−1−yl, bipy = 2,2′−bipyridine). Field dependent x-ray magnetic circular dichroism measurements indicate that the magnetic easy axis for the orbital moment is along the surface normal direction. Along with the presence of a critical field, our observation points to the existence of an anisotropic energy barrier in the high-spin state. The estimated nonzero coupling constant of ∼2.47 × 10 −5 eV molecule −1 indicates that the observed magnetocrystalline anisotropy is mostly due to spin–orbit coupling. The spin- and orbital-component anisotropies are determined to be 30.9 and 5.04 meV molecule −1 , respectively. Furthermore, the estimated g factor in the range of 2.2–2.45 is consistent with the expected values. This work has paved the way for an understanding of the spin-state-switching mechanism in the presence of magnetic perturbations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Chiral photocurrent in a Quasi-1D TiS 3 (001) phototransistor

The presence of in-plane chiral effects, hence spin–orbit coupling, is evident in the changes in the photocurrent produced in a TiS 3 (001) field-effect phototransistor with left versus right circularly polarized light. The direction of the photocurrent is protected by the presence of strong spin–orbit coupling and the anisotropy of the band structure as indicated in NanoARPES measurements. As hsown here, dark electronic transport measurements indicate that TiS 3 is n-type and has an electron mobility in the range of 1–6 cm 2 V –1 s –1 . I–V measurements under laser illumination indicate the photocurrent exhibits a bias directionality dependence, reminiscent of bipolar spin diode behavior. Because the TiS 3 contains no heavy elements, the presence of spin–orbit coupling must be attributed to the observed loss of inversion symmetry at the TiS 3 (001) surface.

Phototransistor Materials↗
DOE OSTI2020

Relativistic Effects in Magnetic Circular Dichroism: Restricted Magnetic Balance and Temperature Dependence

Magnetic circular dichroism of transition metal complexes and open-shell systems are challenging to simulate and analyze, mainly due to the interplay of spin–orbit couplings and finite-magnetic-field induced Zeeman effects with the complex selection rules dictated by the circularly polarized light. In this study, we introduce an ab initio relativistic two-component formalism based on the restricted magnetic-balanced Hamiltonian for simulating MCD spectra. Both homogeneous finite magnetic field and relativistic effects are included variationally in the ground state reference. Finite-field London orbitals are used to enforce the constrained gauge-origin independence in the calculation using localized atomic orbitals. Through benchmark studies of AuCl 4 – , Pt(CN) 4 2– , and Mo(CN) 8 3– , we discuss how relativistic effects are manifested in MCD for both closed-shell and open-shell molecular complexes and how the interplay between spin–orbit coupling and magnetic field modulates the MCD selection rules. Finally, an investigation on temperature-dependent MCD is carried out and compared to experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

X-ray dichroism as a probe of orbital quenching and unquenching induced by optically excited Jahn-Teller modes

The use of soft-X-ray spectroscopy to probe changes in the ground-state due to vibronic excitations is studied. The changes in L-edge X-ray absorption on divalent cobalt in the presence of a vibrating Jahn-Teller distortion are calculated. For linear dichroism, a strong dependence on the distortion is obtained reflecting the change in the local quadrupole moment due to the changes in the xy versus yz/zx hole densities during the oscillation. Here, in the presence of a magnetic moment, significant variations in the circular dichroic signal are obtained related to the quenching and unquenching of the orbital angular momentum.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Formation of Mn-rich interfacial phases in Co 2 Fe x Mn 1-x Si thin films

Here, we report the formation of Mn-rich regions at the interface of Co 2 Fe x Mn 1-x Si thin films grown on GaAs substrates by molecular beam epitaxy (MBE). Scanning transmission electron microscopy (STEM) with electron energy loss (EEL) spectrum imaging reveals that each interfacial region: (1) is 1–2 nm wide, (2) occurs irrespective of the Fe/Mn composition ratio and in both Co-rich and Co-poor films, and (3) displaces both Co and Fe indiscriminately. We also observe a Mn-depleted region in each film directly above each Mn-rich interfacial layer, roughly 3 nm in width in the x = 0 and x = 0.3 films, and 1 nm in the x = 0.7 (less Mn) film. We posit that growth energetics favor Mn diffusion to the interface even when there is no significant Ga interdiffusion into the epitaxial film. Element-specific X-ray magnetic circular dichroism (XMCD) measurements show larger Co, Fe, and Mn orbital to spin magnetic moment ratios compared to bulk values across the Co 2 Fe x Mn 1-x Si compositional range. The values lie between reported values for pure bulk and nanostructured Co, Fe, and Mn materials, corroborating the non-uniform, layered nature of the material on the nanoscale. Finally, SQUID magnetometry demonstrates that the films deviate from the Slater-Pauling rule for uniform films of both the expected and the measured composition. The results inform a need for care and increased scrutiny when forming Mn-based magnetic thin films on III-V semiconductors like GaAs, particularly when films are on the order of 5 nm or when interface composition is critical to spin transport or other device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Relativistic gas accretion onto supermassive black hole binaries from inspiral through merger

Accreting supermassive black hole binaries are powerful multimessenger sources emitting both gravitational and electromagnetic (EM) radiation. Understanding the accretion dynamics of these systems and predicting their distinctive EM signals is crucial to informing and guiding upcoming efforts aimed at detecting gravitational waves produced by these binaries. To this end, accurate numerical modeling is required to describe both the spacetime and the magnetized gas around the black holes. In this paper, we present two key advances in this field of research. First, we have developed a novel 3D general relativistic magnetohydrodynamics (GRMHD) framework that combines multiple numerical codes to simulate the inspiral and merger of supermassive black hole binaries starting from realistic initial data and running all the way through merger. Throughout the evolution, we adopt a simple but functional prescription to account for gas cooling through photon emission. Next, we have applied our new computational method to follow the time evolution of a circular, equal-mass, nonspinning black hole binary for ∼200 orbits, starting from a separation of 20⁢𝑟 𝑔 and reaching the postmerger evolutionary stage of the system. We have shown how mass continues to flow toward the binary even after the binary “decouples” from its surrounding disk, but the accretion rate onto the black holes diminishes. We have identified how the minidisks orbiting each black hole are slowly drained and eventually dissolve as the binary compresses. We confirm previous findings that the system’s luminosity decreases by a factor of a few during inspiral; however, we observe an abrupt increase by ∼50% in this quantity at the time of merger, likely accompanied by an equally abrupt change in spectrum. Lastly, we have demonstrated that during the inspiral, fluid ram pressure regulates the fraction of the magnetic flux transported to the binary that attaches to the black holes’ horizons.

Accretion disk & black-hole plasma↗
DOE OSTI2024

Constraints on 5 f -electron magnetism in Ga-stabilized $δ$-Pu from x-ray magnetic circular dichroism

Density-functional theory models of δ-Pu accurately predict crystal structure, phonon density of states, and unit cell volumes but require magnetic degrees of freedom which have never been experimentally verified. Some models invoke an on-site cancellation of spin and orbital moments, engendering a near-zero bulk magnetization, undetectable by most probes. Here, we employ x-ray magnetic circular dichroism at the Pu M 4,5 edges to directly probe spin and orbital moments using the magneto-optical sum rules. The data show no dichroism within experimental error, constraining polarized moments at 6 T and 3 K to μ L,S <0.1⁢μ B . Finally, these experiments point to the absence of even unconventional spin-orbit compensated order in δ-Pu.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chirality in the Kagome Metal CsV 3 ⁢Sb 5

Using x-ray photoelectron diffraction (XPD) and angle-resolved photoemission spectroscopy, we study photoemission intensity changes related to changes in the geometric and electronic structure in the kagome metal CsV 3 ⁢Sb 5 upon transition to an unconventional charge density wave (CDW) state. The XPD patterns reveal the presence of a chiral atomic structure in the CDW phase. Furthermore, using circularly polarized x-rays, we have found a pronounced nontrivial circular dichroism in the angular distribution of the valence band photoemission in the CDW phase, indicating a chirality of the electronic structure. This observation is consistent with the proposed orbital loop current order. In view of a negligible spontaneous Kerr signal in recent magneto-optical studies, the results suggest an antiferromagnetic coupling of the orbital magnetic moments along the 𝑐 axis. Here, while the inherent structural chirality may also induce circular dichroism, the observed asymmetry values seem to be too large in the case of the weak structural distortions caused by the CDW.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Dynamical Generation of Higher-Order Spin-Orbit Coupling, Topology, and Persistent Spin Texture in Light-Irradiated Altermagnets

Altermagnets have been identified as the third category of magnetic materials, exhibiting momentum-dependent spin splitting characterized by even powers of momentum. Here, in this Letter, we show that when subjected to elliptically polarized light, these materials serve as an exemplary framework for the dynamic generation of topological bands featuring higher-order spin-orbit coupling (SOC). Notably, while the generated Zeeman field remains invariant to the particular altermagnetic ordering, the induced higher-order SOCs are related to the magnitude and symmetry of the altermagnetic order. Specifically, we show that an altermagnet exhibiting 𝐤 2⁢𝑛 -spin splitting can generate odd-in-𝐤 spin-orbit couplings up to 𝐤 2⁢𝑛−1 . In the limit of circularly polarized light, the only correction is 𝑘 2⁢𝑛−1 , with all lower-order contributions being nullified. Interestingly, light-induced SOCs significantly impact the low-energy band topology, where their Chern numbers change by Δ⁢𝐶 = ±1, 2, 3 for 𝑑, 𝑔, 𝑖-wave altermagnets. Finally, we find a critical field in which a persistent spin texture is realized, a highly desirable state with predicted infinite spin lifetime. Our Letter showcases light as a powerful, controllable tool for engineering complex and exciting phenomena in altermagnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Field-free spin-orbit torque switching assisted by in-plane unconventional spin torque in ultrathin [Pt/Co] N

Electrical manipulation of magnetization without an external magnetic field is critical for the development of advanced non-volatile magnetic-memory technology that can achieve high memory density and low energy consumption. Several recent studies have revealed efficient out-of-plane spin-orbit torques (SOTs) in a variety of materials for field-free type-z SOT switching. Here, we report on the corresponding type-x configuration, showing significant in-plane unconventional spin polarizations from sputtered ultrathin [Pt/Co] N , which are either highly textured on single crystalline MgO substrates or randomly textured on SiO 2 coated Si substrates. The unconventional spin currents generated in the low-dimensional Co films result from the strong orbital magnetic moment, which has been observed by X-ray magnetic circular dichroism (XMCD) measurement. The x-polarized spin torque efficiency reaches up to −0.083 and favors complete field-free switching of CoFeB magnetized along the in-plane charge current direction. Micromagnetic simulations additionally demonstrate its lower switching current than type-y switching, especially in narrow current pulses. Our work provides additional pathways for electrical manipulation of spintronic devices in the pursuit of high-speed, high-density, and low-energy non-volatile memory.

42 ENGINEERING↗