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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Floquet-driven indirect exchange interaction mediated by topological insulator surface states

Light drives offer a potential tool for the dynamical control of magnetic interactions in matter. We theoretically investigate the indirect exchange coupling between two parallel chains of magnetic impurities on the surface of a topological insulator, driven by a time-periodic circularly polarized light field in the high-frequency, off-resonant regime. We derive a closed-form analytic expression for the spin susceptibility of the photon-dressed topological insulator surface states and obtain the irradiation dependence of the Ising, Heisenberg, and Dzyaloshinskii-Moriya exchange couplings between the impurity chains. Our results show a two-pronged modification of these exchange couplings by periodic drives. First, the Ruderman-Kittel-Kasuya-Yosida (RKKY) oscillation period of the exchange couplings can be extended by enhancing the driving strength. Second, increasing driving strength enhances the envelope of RKKY oscillations of the Ising type while suppressing those of the Heisenberg type and Dzyaloshinskii-Moriya type. Furthermore, our work provides useful insights for realizing Floquet engineering of collinear and noncollinear indirect exchange interactions in topological insulating systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Spin–Phonon Coupling in Ferromagnetic Monolayer Chromium Tribromide

Novel 2D magnets exhibit intrinsic electrically tunable magnetism down to the monolayer limit, which has significant value for nonvolatile memory and emerging computing device applications. In these compounds, spin–phonon coupling (SPC) typically plays a crucial role in magnetic fluctuations, magnon dissipation, and ultimately establishing long-range ferromagnetic order. However, a systematic understanding of SPC in 2D magnets that combines theory and experiment is still lacking. Here in this work, monolayer chromium tribromide is studied to investigate SPC in 2D magnets via Raman spectroscopy and first principle calculations. The experimental Curie temperature and phonon shifts are found to be in good agreement with the numerical simulations. Specifically, it is demonstrated how magnetic exchange interactions affect phonon vibrations, which helps establish design fundamentals for 2D magnetic materials and other related devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Coherent detection of hidden spin–lattice coupling in a van der Waals antiferromagnet

Strong interactions between different degrees of freedom lead to exotic phases of matter with complex order parameters and emergent collective excitations. Conventional techniques, such as scattering and transport, probe the amplitudes of these excitations, but they are typically insensitive to phase. Therefore, novel methods with phase sensitivity are required to understand ground states with phase modulations and interactions that couple to the phase of collective modes. Here, by performing phase-resolved coherent phonon spectroscopy (CPS), we reveal a hidden spin–lattice coupling in a vdW antiferromagnet FePS 3 that eluded other phase-insensitive conventional probes, such as Raman and X-ray scattering. With comparative analysis and analytical calculations, we directly show that the magnetic order in FePS 3 selectively couples to the trigonal distortions through partially filled t 2 g orbitals. This magnetoelastic coupling is linear in magnetic order and lattice parameters, rendering these distortions inaccessible to inelastic scattering techniques. Our results not only capture the elusive spin–lattice coupling in FePS 3 but also establish phase-resolved CPS as a tool to investigate hidden interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Magnetized neutral 2SC color superconductivity and possible origin of the inner magnetic field of magnetars

In this paper, the neutral 2SC phase of color superconductivity is investigated in the presence of a magnetic field and for diquark coupling constants and baryonic densities that are expected to characterize neutron stars. Specifically, the behavior of the charged gluons Meissner masses is investigated in the parameter region of interest, taking into account, in addition, the contribution of a rotated magnetic field. It is found that up to moderately high diquark coupling constants the mentioned Meissner masses become tachyonic independently of the applied magnetic-field amplitude, hence signalizing the chromomagnetic instability of this phase. To remove the instability, the restructuring of the system ground state is proposed, which now will be formed by vortices of the rotated charged gluons. These vortices boost the applied magnetic field, having the most significant increase for relatively low applied magnetic fields. Finally, considering that with the stellar rotational frequency observed for magnetars a field of the order of 10 8 G can be generated by dynamo effect, we show that by the boosting effect just described the field can be amplified to 10 17 G that is in the range of inner core fields expected for magnetars. Thus, we conclude that the described mechanism could be the one responsible for the large fields characterizing magnetars if the cores of these compact objects are formed by neutral 2SC matter. Published by the American Physical Society 2024

Yuan, Shuai↗
DOE OSTI2021

Electron–Nucleus Hyperfine Coupling Calculated from Restricted Active Space Wavefunctions and an Exact Two-Component Hamiltonian

Exact two-component (X2C) relativistic nuclear hyperfine magnetic field operators were incorporated in X2C ab-initio wavefunction calculations at the multi-reference restricted active space (RAS) level for calculations of nuclear hyperfine magnetic properties. Spin-orbit coupling was treated via RAS state interaction (SO-RASSI). The method was tested by calculations of electron – nucleus hyperfine coupling constants. The approach, implemented in the OpenMolcas program, overcomes a major limitation of a previous SO-RASSI implementation for hyperfine coupling that relied on non-relativistic hyperfine operators [J. Chem. Theor. Comput. 2015, 11, 538–549] and therefore had only limited applicability. Furthermore, results from calculations on systems with light and heavy main group elements, transition metals, lanthanides, and one actinide complex, demonstrate reasonably good agreement with experimental data, where available, as long as the active space can generate sufficient spin polarization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Multi-Spectroscopic Determination of Exchange Coupling, Zero-Field Splitting, and g-Matrices in Radical-Bridged Dinuclear Fe(III) Complexes

When the energy gap, Δ, between the lowest-lying spin manifolds within a spin-exchange coupled molecule approaches Δ/k B ≈ 300 K, the traditional temperature-dependence (T < 400 K) of the molar magnetic susceptibility is not always a reliable way to obtain a good estimate of intramolecular exchange couplings. We develop a spectroscopic approach capable of accurately parametrizing complex magnetic Hamiltonians by exploiting the separation of the anisotropy and exchange energy scales in strongly coupled magnetic molecules. Specifically, we combine inelastic neutron scattering, high-frequency electron paramagnetic resonance, far-infrared magneto-spectroscopy and magnetometry, and obtain detailed information about the magnetic properties of a series of diiron complexes derived from [[Fe(cth)] 2 (dxbq)] 3+ (H 2 dxbq: 2,5-dihydroxy-1,4-benzoquinone (x = h) or 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (x = c), cth: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane). Well-isolated S = 9/2 ground states emerge due to strong direct antiferromagnetic exchange between the Fe 3+ centers (S = 5/2) and the radical bridging benzoquinone ligand (S = 1/2). The specific sensitivities and transition selection rules of the applied methods allow us to determine the parameters of the microscopic Hamiltonian including exchange coupling, fourth-order Stevens operators and g-factors. Our methodology is directly portable to other strongly coupled molecular compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Magnetic Response of Excitons and Excitonic Complexes in Defective Hexyl Ammonium Lead Iodide Self-Assembled Quantum Wells

Correlating the magnetic behavior of low-dimensional semiconductors with the chemistry used to form these excitonic materials remains crucial to the development of devices applied to quantum technologies. In this study, we apply large magnetic fields during the collection of low-temperature photoluminescence (PL) to assess the magnetic properties of excitons in hexyl ammonium lead iodide (HA 2 PbI 4 ) self-assembled quantum wells (SAQWs) formed at liquid−liquid interfaces. The effect of incident laser power and temperature was used to assign lower energy features in these samples’ PL spectra to both excitons trapped at defect sites and trions. Measured peaks shifts allow us to estimate coupling between the applied magnetic fields and the charged defect excitons. Our conclusions are supported by density functional theory calculations on supercells of the proposed defective HA 2 PbI 4 SAQW structure. Additionally, we find an anomalous magnetic response from trion states that resembles the behavior of interacting excitonic complexes in similar, quantum-confined materials at low temperatures. These results highlight the crucial role that chemical conditions can play in the magnetic response of 2D semiconductors applied in quantum technologies.

defect chemistry↗
DOE OSTI2023

Magnetic molecules lose identity when connected to different combinations of magnetic metal electrodes in MTJ-based molecular spintronics devices (MTJMSD)

Abstract Understanding the magnetic molecules’ interaction with different combinations of metal electrodes is vital to advancing the molecular spintronics field. This paper describes experimental and theoretical understanding showing how paramagnetic single-molecule magnet (SMM) catalyzes long-range effects on metal electrodes and, in that process, loses its basic magnetic properties. For the first time, our Monte Carlo simulations, verified for consistency with regards to experimental studies, discuss the properties of the whole device and a generic paramagnetic molecule analog (GPMA) connected to the combinations of ferromagnet-ferromagnet, ferromagnet-paramagnet, and ferromagnet-antiferromagnet metal electrodes. We studied the magnetic moment vs. magnetic field of GPMA exchange coupled between two metal electrodes along the exposed side edge of cross junction-shaped magnetic tunnel junction (MTJ). We also studied GPMA-metal electrode interfaces’ magnetic moment vs. magnetic field response. We have also found that the MTJ dimension impacted the molecule response. This study suggests that SMM spin at the MTJ exposed sides offers a unique and high-yield method of connecting molecules to virtually endless magnetic and nonmagnetic electrodes and observing unprecedented phenomena in the molecular spintronics field.

42 ENGINEERING↗
DOE OSTI2020

Dynamical resilience to disorder: The dilute Hubbard model on the Lieb lattice

In itinerant systems, electron-electron interactions may lead to the formation of local magnetic moments and their effective exchange coupling, which in turn gives rise to long-range magnetic order. Therefore, when moment formation is weakened, such as in the single-band Hubbard model on a square lattice with the on-site repulsion being randomly switched off on a fraction $\textit{x}$ of sites, magnetic order is suppressed beyond some critical $x_c$, which was found to lie below the classical percolation threshold $x^{\text{(perc,sq)}}_c$. Here we study dilute magnetism in flat band systems, namely, in the Hubbard model on a “Lieb” lattice. Interestingly, we show that magnetic order persists to x almost twice as large as the classical percolation threshold for the lattice, thus emphasizing the central role of electron itinerancy to the magnetic response. Further, the analysis of the orbital-resolved order parameters reveals that the contribution of the fourfold coordinated $\textit{“d”}$ sites to magnetism is dramatically affected by dilution, while the localized $\textit{“p”}$ states of the flat band provide the dominant contribution to long-range correlations. We also examine the transport properties, which suggest the existence of an insulator-to-metal transition in the same range of the critical magnetic dilution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Interlayer coupling induced quasiparticles

In this work, we present an exact treatment of layered many-body electronic systems in the presence of interlayer coupling within the Schwinger functional derivative approach on the Keldysh contour. Our transparent approach allows us to clarify the definition of interlayer coupling by showing the independent roles hybridization and interactions play in generating new electronic and magnetic excitations. We find interlayer coupling to induce a variety of plasmons, magnons, and excitons, residing within a layer, traversing between layers, or propagating along the interface. Moreover, we predict interfacial excitations, including an electron-hole pairing pathway, facilitated by previously ignored layer nonconserving interactions. Finally, we briefly explore the consequence of interlayer coupling on a bilayer square lattice system.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanomagnet shape effects on magnetic reversal in artificial spin ice

We use micromagnetic simulations to study the influence of the shape of elongated nanomagnets that vary from rectangular to elliptical shapes in an artificial spin ice array. For weakly interacting ellipselike islands, the magnetic hysteresis loops align with the Stoner-Wohlfarth model, demonstrating nearly uniform magnetization at remanence and nearly coherent rotation. As expected, nonelliptical weakly interacting islands show deviations from the model due to the curling and pinning of the magnetization at the island edge. We find that increasing interisland coupling leads to an increasingly complex magnetic reversal process due to an interplay between internal and external degrees of freedom as the shape of the islands varies. Furthermore, our results open a roadmap for tailoring systems with desired magnetic properties by choosing the appropriate nanomagnet shape.

Artificial spin ice↗
DOE OSTI2025

Nuclear spin metrology with nitrogen vacancy center in diamond for axion dark matter detection

We present a method to directly detect the axion dark matter using nitrogen vacancy centers in diamonds. In particular, we use metrology leveraging the nuclear spin of nitrogen to detect axion-nucleus couplings. This is achieved through protocols designed for dark matter searches, which introduce a novel approach of quantum sensing techniques based on the nitrogen vacancy center. Although the coupling strength of the magnetic fields with nuclear spins is three orders of magnitude smaller than that with electron spins for conventional magnetometry, the axion interaction strength with nuclear spins is the same order of magnitude as that with electron spins. Furthermore, we can take advantage of the long coherence time by using the nuclear spins for the axion dark matter detection. Our method has the potential to be sensitive to a broad frequency range ≲ 100 Hz corresponding to the axion mass m a ≲ 4 × 10 − 13 eV . We present the detection limit of our method for both the axion-neutron and the axion-proton couplings and discuss its significance in comparison with other proposed ideas. We also show that the sensitivities of the NV center sensor to various spin species will open up new directions for constructing protocols that can mitigate magnetic noise effects. Published by the American Physical Society 2025

Chigusa, So (ORCID:0000000160054447)↗
NASA NTRS1982

The steady global corona

The formation of the steady coronal structure which consists of coronal streamers and holes is seen in terms of a model employing numerical solutions of time-dependent, dissipationless, magnetohydrodynamic equations of motion applicable to the meridional plane. A coronal streamer consists of closed magnetic field lines near the solar surface with overlying and adjacent open field lines, and the atmosphere, which is stationary in the closed region, flows outward in the open region, or coronal hole. The steady coronal structure is obtained by starting the numerical calculation with a state comprising a polytropic, hydrodynamical solution to the steady-state radial equation of motion coupled with a dipole magnetic field. Global coronal configurations are calculated for values of the plasma beta which vary from 0.1 to 100. It is found that the height and lateral extension of the closed region are only weakly dependent on the data.

Steinolfson, R. S.↗
DOE OSTI2022

Pressure dependent magnetic properties on bulk CrBr 3 single crystals

The van der Waals class of materials offer an approach to two-dimensional magnetism as their spin fluctuations can be tuned upon exfoliation of layers. Moreover, it has recently been shown that spin-lattice coupling and long-range magnetic ordering can be modified with pressure in van der Waals materials. In this work, the magnetic properties of quasi two-dimensional CrBr 3 are reported applying hydrostatic pressure. The application of pressure up to 0.844 GPa shows a 1.77% decrease in saturation magnetization with a decrease in the Curie temperature from 33.05 to 30.41 K. Density functional theory calculations with pressure up to 1 GPa show a reduction in volume and interplanar distance as pressure increases. To further understand the magnetic properties with applied pressure, the magnetocrystalline anisotropy energy (MAE) and exchange coupling parameter (J) are calculated. There is small decrease in MAE and the first nearest neighbor interaction (J 1 ) (U = 2.7 eV and J = 0.7 eV) is increasing with respect to increasing pressure. Overall, CrBr 3 displays ferromagnetic interlayer coupling and the calculated exchange coupling and MAE parameters match well with the observations from the experimental work.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Entangled Electrons Drive a Non-superexchange Mechanism in a Cobalt Quinoid Dimer Complex

A central theme in chemistry is the understanding of the mechanisms that drive chemical transformations. A well-known, highly cited mechanism in organometallic chemistry is the superexchange mechanism in which unpaired electrons on two or more metal centers interact through an electron pair of the bridging ligand. We use a combination of novel synthesis and computation to show that such interactions may in fact occur by a more direct mechanism than superexchange that is based on direct quantum entanglement of the two metal centers. Specifically, we synthesize and experimentally characterize a novel cobalt dimer complex with benzoquinoid bridging ligands and investigate its electronic structure with the variational two-electron reduced density matrix method using large active spaces. The result draws novel connections between inorganic mechanisms and quantum entanglement, thereby opening new possibilities for the design of strongly correlated organometallic compounds whose magnetic and spin properties have applications in superconductors, energy storage, thermoelectrics, and spintronics.

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

Electron-phonon coupling in M⁢n 1−𝑥 ⁢F⁡e 𝑥⁢ Si

We present a study of the lattice dynamical properties of M⁢n 1−𝑥⁢ F⁡e 𝑥 ⁢Si with 0≤𝑥≤0.22. Employing time-of-flight neutron spectroscopy and inelastic x-ray scattering, we investigate the doping dependence of phonon energies, 𝐸 ph , and linewidths, Γ ph . We find anomalous softening and broadening of a phonon mode propagating along the direction. Ab initio lattice dynamical calculations link this softening to an enhanced electron-phonon coupling due to the doping-dependent changes of the Fermi surface. In conclusion, we discuss an interplay of increased electron-phonon coupling and reduced ordered magnetic moments in M⁢n 1−𝑥⁢ F⁡e 𝑥 ⁢Si.

Density functional theory↗
DOE OSTI2025

Modelling pulsed field magnetization of iron-based bulk superconductors

Abstract Bulk superconductors can be used as super-strength quasi-permanent magnets capable of providing magnetic flux densities considerably superior to conventional permanent magnets. This makes them attractive for several engineering applications that rely on strong magnetic fields like rotating machines, NMR/MRI and magnetic drug delivery systems. Recently, the authors reported a record trapped magnetic field in an iron-based bulk superconductor: 2.83 T was trapped in potassium-doped barium iron arsenide (Ba, K)Fe 2 As 2 (or Ba122) at 5 K. Of particular significance is that the strength and temporal stability of this magnetic field exceeds the requirements of MRI machines, indicating iron-based bulks can now perform at levels demanded by engineering applications. One crucial challenge for their practical use, however, is the need to apply and remove an external magnetic field to magnetize them. Pulsed field magnetization (PFM) shows great promise as a practical method of magnetizing bulks, but the process generates heat in the bulk that is detrimental to its superconducting performance and ability to act as a super-strength magnet. In this paper, coupled electromagnetic–thermal numerical models are used to simulate the PFM of iron-based bulk superconductors. Here we focus on the recent-record-breaking, fine-grain polycrystalline K-doped Ba122 bulks. The impact that the specific J c ( B ) characteristics and thermal properties of the Ba122 material—all of which have been experimentally measured from state-of-the-art samples—have on the magnetic flux dynamics and thermal behaviour during PFM, including the final trapped field, is investigated. We show that because the thermal properties are similar to those of REBa 2 Cu 3 O 7 −δ bulks, a similar response to pulsed fields is obtained. A maximum trapped field of ∼0.81 T (∼43.3% of the maximum trapped field capability under ideal, field-cooling conditions) was simulated at 5 K, with a magnetization efficiency of ∼54%. The modelling framework provides a fast and flexible tool for optimising the practical PFM process at different operating temperatures to maximise the trapped field in state-of-the-art Ba122 bulks and to guide the design of future experiments.

bulk superconductors↗