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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Synergy of coupled kink and tearing modes in fast ion transport

One aspect of the interaction between fast ions and magnetohydrodynamic (MHD) instabilities is the fast ion transport. Coupled kink and tearing MHD instabilities have also been reported to cause fast ion transport. Recently, the 'kick' model has been developed to compute the evolution of the fast ion distribution from neutral beam injection using instabilities as phase-space resonance sources. Overall, the goal of this paper is to utilize the kick model to understand the physics of fast ion transport caused by the coupled kink and tearing modes. Soft x-ray diagnostics are used to identify the mode parameters in the National Spherical Torus Experiment. The comparison of neutron rates measured and computed from time-dependent TRANSP simulation with the kick model shows that the coupling of kink and tearing mode is important in determination of the fast ion transport. The numerical scan of the mode parameters shows that the relative phase of the kink and tearing modes and the overlapping of kink and tearing mode resonances in the phase space can affect the fast ion transport, suggesting that the synergy of the coupled modes may be causing the fast ion transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Cosmological implications of axion-matter couplings

Axions and other light particles appear ubiquitously in physics beyond the Standard Model, with a variety of possible couplings to ordinary matter. Cosmology offers a unique probe of these particles as they can thermalize in the hot environment of the early universe for any such coupling. For sub-MeV particles, their entropy must leave a measurable cosmological signal, usually via the effective number of relativistic particles, N eff . Here, in this paper, we will revisit the cosmological constraints on the couplings of axions and other pseudo-Nambu-Goldstone bosons to Standard Model fermions from thermalization below the electroweak scale, where these couplings are marginal and give contributions to the radiation density of ΔN eff > 0.027. We update the calculation of the production rates to eliminate unnecessary approximations and find that the cosmological bounds on these interactions are complementary to astrophysical constraints, e.g. from supernova SN 1987A. We additionally provide quantitative explanations for these bounds and their relationship.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Designing strong and tunable magnetoelectric coupling in 2D trilayer heterostructures

Abstract The quest for electric-field control of nanoscale magnetic states such as skyrmions, which would impact the field of spintronics, has led to a challenging search for multiferroic materials or structures with strong magnetoelectric coupling and efficient electric-field control. Here we report a theoretical prediction that such phenomena can be realized in two-dimensional (2D) bilayer FE/PMM and trilayer FE/PMM/FE heterostructures (two-terminal and three-terminal devices), where FE is a 2D ferroelectric and PMM is a polar magnetic metal with strong spin–orbit coupling. Such a PMM has strong Dzyaloshinskii-Moriya interactions (DMI) that can generate skyrmions, while the FE can generate strong magnetoelectric coupling through polarization-polarization interactions. In trilayer heterostructures, contact to the metallic PMM layer enables multiple polarization configurations for electric-field control of skyrmions. We report density-functional-theory calculations for particular material choices that demonstrate the effectiveness of these arrangements, with the key driver being the polarization-polarization interactions between the PMM and FE layers. The present findings provide a method to achieve strong magnetoelectric coupling in the 2D limit and a new perspective for the design of related spintronics.

Materials Science↗
DOE OSTI2024

Structural mode coupling in perovskite oxides using hypothesis-driven active learning

Abstract Finding the ground-state structure with minimum energy is paramount to designing any material. In ABO 3 -type perovskite oxides with Pnma symmetry, the lowest energy phase is driven by an inherent trilinear coupling between the two primary order parameters such as rotation and tilt with antiferroelectric displacement of the A-site cations as established via hybrid improper ferroelectric mechanism. Conventionally, finding the relevant mode coupling driving phase transition requires performing first-principles calculations which is computationally time-consuming as well as expensive. It involves following an intuitive iterative hit and trial method of (a) adding two or multiple mode vectors, followed by (b) evaluating which combination would lead to the ground-state energy. In this study, we show how a hypothesis-driven active learning framework can identify suitable mode couplings within the Landau free energy expansion with minimal information on amplitudes of modes for a series of double perovskite oxides with A-site layered, columnar and rocksalt ordering. This scheme is expected to be applicable universally for understanding atomistic mechanisms derived from various structural mode couplings behind functionalities, for e.g. polarization, magnetization and metal–insulator transitions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Strong long-wavelength electron-phonon coupling in Ta 2 ⁢Ni⁡(Se,S) 5

The search for intrinsic excitonic insulators (EI) has long been confounded by coexisting electron–phonon coupling in bulk materials. Although the ground state of an EI may be difficult to differentiate from density-wave orders or other structural instabilities, excited states offer distinctive signatures. One way to provide clarity is to directly inspect the phonon spectral function for long wavelength broadening caused by phonon interaction with the high velocity EI phason. Here, in this study, we report that the quasi-one-dimensional (quasi-1D) EI candidate Ta 2 NiSe 5 shows extremely anisotropic phonon broadening and softening in the semimetallic normal state. In contrast, such behavior is completely absent in the broken symmetry state of Ta 2 NiSe 5 and in the isostructural Ta 2 NiS 5 , where the latter has a fully gapped normal state. By contrasting the expected phonon lifetimes in the BCS and BEC limits of a putative EI, our results suggest that the phase transition in Ta 2 Ni(Se,S) 5 family is closely related to strong interband electron–phonon coupling. We experimentally determine the dimensionless coupling $\frac{g}{ω_0}$ ∼ 10, revealing Ta 2 Ni(Se,S) 5 as a rare “ultrastrong coupling” material.

Kang, Zhibo [Yale University, New Haven, CT (Unite↗
DOE OSTI2026

Theory of ab initio downfolding with arbitrary-range electron-phonon coupling

Ab initio downfolding describes the electronic structure of materials within a low-energy subspace, often around the Fermi level. Typically starting from mean-field calculations, this framework allows for the calculation of one- and two-electron interactions, and the parametrization of a many-body Hamiltonian representing the active space of interest. The subsequent solution of such Hamiltonians can provide insights into the physics of strongly correlated materials. While phonons can substantially screen electron-electron interactions, electron-phonon coupling has been commonly ignored within ab initio downfolding, and when considered, this is done only for short-range coupling. Here we propose a theory of ab initio downfolding that accounts for short- and long-range electron-phonon coupling on equal footing. Our practical computational implementation is readily compatible with current downfolding approaches. We apply our approach to polar materials MgO and GeTe, and we reveal the importance of both short-range and long-range electron-phonon coupling in determining the magnitude of electron-electron interactions. Our results show that in the static limit, phonons reduce the on-site repulsion between electrons by 40% for MgO and by 79% for GeTe. Our framework also predicts that overall attractive nearest-neighbor interactions arise between electrons in GeTe, consistent with superconductivity in this material.

Tubman, Norm M↗
DOE OSTI2025

Exact statistics of helical wormlike chains with twist-bend coupling

Here, we present a solution for the Green's function for the general case of a helical wormlike chain with twist-bend coupling and demonstrate the applicability of our solution for evaluating general structural and mechanical chain properties. We find that twist-bend coupling renormalizes the persistence length and the force-extension curves relative to wormlike chains. Analysis of intrinsically twisted polymers shows that incorporation of twist-bend coupling results in the oscillatory behavior in principal tangent correlations that are observed in some studies of synthetic polymers. The exact nature of our solution provides a framework to evaluate the role of twist-bend coupling on polymer properties, such as DNA bound to histones and motivates the reinterpretation of existing biopolymer experimental data.

Ghosh, Ashesh [University of California, Berkeley,↗
DOE OSTI2025

Resonant inelastic x-ray scattering investigation of Hund's and spin-orbit coupling in 5 d 2 double perovskites

𝐵 site ordered 5⁢𝑑 2 double perovskites (𝐴 2 ⁢𝐵⁢𝐵′⁢O 6 , 𝐵′ = 5⁢𝑑 2 ) display a remarkable range of physical properties upon variation of the chosen 𝐵 and 𝐵′ site ions. This sensitivity to chemical substitution reflects the delicate balance and profound impact of strong electronic correlation and spin-orbit coupling in such systems. Here, we present rhenium 𝐿 2 and 𝐿 3 resonant inelastic x-ray scattering (RIXS) measurements of two such physically dissimilar materials, Mott-insultating Ba 2⁢ Y⁢Re⁢O 6 and semiconducting Sr 2⁢ Cr⁢Re⁢O 6 . Despite these differences, our RIXS results reveal similar energy scales of Hund's (𝐽 𝐻 ) and spin-orbit coupling (𝜁) in the two materials, with both systems firmly in the intermediate Hund's coupling regime where 𝐽 𝐻 /𝜁∼1. However, there are clear differences in their RIXS spectra. The conductive character of Sr 2⁢ Cr⁢Re⁢O 6 broadens and obfuscates the atomic transitions within an electron-hole continuum, while the insulating character of Ba 2 ⁢Y⁢Re⁢O 6 results in sharp atomic excitations. This contrast in their RIXS spectra despite their similar energy scales reflects a difference in the itinerancy-promoting hopping integral and illustrates the impact of the local crystal environment in double perovskites. Finally, 𝐿 2 and 𝐿 3 edge analyses of the atomic excitations in Ba 2 ⁢Y⁢Re⁢O 6 reveal that the ordering of the low lying excited states is inverted compared to previous reports, such that the appropriate energy scales of Hund's and spin-orbit coupling are significantly modified. We present exact diagonalization calculations of the RIXS spectra at both edges which show good agreement with our results for new energy scales of 𝜁 = 0.290⁢(5)⁢eV and 𝐽 𝐻 = 0.38⁢(2)⁢eV [𝐽 𝐻 /𝜁 = 1.30⁢(5)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

From closed shells to open shells: Coupled-cluster calculations of atomic nuclei

Coupled-cluster theory is a powerful tool for first-principles calculations of atomic nuclei, enabling accurate predictions of nuclear observables across the Segrè chart. While coupled-cluster computations are especially efficient at shell closures, extensions have been developed to tackle open-shell nuclei, by exploiting the equation-of-motion method or by expanding the coupled-cluster wave function on top of a symmetry-breaking (either deformed or superfluid) reference state. In this study, we provide a comprehensive comparison of these different formulations applied to the calcium and nickel isotopes using nuclear two-and three-body interactions from chiral effective field theory. Here, based on ground-state energies, two-neutron separation energies, and two-neutron shell gaps, different coupled-cluster computations—based on symmetry-broken reference states and equationof-motion techniques— offer consistent descriptions of bulk properties across medium-mass isotopic chains.

Marino, Francesco [Johannes Gutenberg-Universität ↗
DOE OSTI2023

Raman-induced mode coupling in temporal waveguides formed by short solitons

We study the propagation of optical pulses trapped inside a temporal waveguide formed by two solitons in a dispersive nonlinear medium such as an optical fiber. The solitons are short enough that they decelerate as their spectra shift continuously toward the red side because of intrapulse Raman scattering. We show that the shape of a probe pulse trapped between the two solitons evolves in a periodic fashion, while its spectrum shifts toward the blue side. We develop a coupled-mode theory showing that such changes occur because of mode coupling induced by the deceleration of the short solitons, resulting in a curved waveguide. Here, a simplified two-mode model is used to introduce a single-parameter governing modal coupling and to find the condition under which coupling becomes weak enough that the probe pulse blue-shifts its spectrum without changes in its pulse shape.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Direct Imaging of Resonant Phonon-Magnon Coupling

Detection of phonons is critical for research on the interconversion between resonantly coupled magnons and phonons. Here we report the direct visualization of the resonant coupling of magnons and phonons by microfocused Brillouin light scattering on the Ni/Li Nb O 3 hybrid heterostructure. The static patterns of surface acoustic wave phonons, originating from the interference between the incident wave ψ 0 (A 0 , k, φ 0 ) and reflected wave ψ 1 (A 1 , - k, φ 1 ), can be modulated by magnetic field due to the magnon-phonon coupling. By analyzing the information of phonons obtained from Brillouin spectroscopy, the properties of the magnon system (Ni film), e.g., ferromagnetic resonance field and resonance linewidth, can be determined. The results provide spatially resolved information about phonon manipulation and detection in a coupled magnon-phonon system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Optimal coupling of Ho W 10 molecular magnets to superconducting circuits near spin clock transitions

A central goal in quantum technologies is to maximize GT 2 , where G stands for the coupling of a qubit to control and readout signals and T 2 is the qubit’s coherence time. Furthermore, this is challenging, as increasing G (e.g., by coupling the qubit more strongly to external stimuli) often leads to deleterious effects on T 2 . Here, we study the coupling of pure and magnetically diluted crystals of Ho W 10 magnetic clusters to microwave superconducting coplanar waveguides. Absorption lines give a broadband picture of the magnetic energy level scheme and, in particular, confirm the existence of level anticrossings at equidistant magnetic fields determined by the combination of crystal field and hyperfine interactions. Such “spin clock transitions” are known to shield the electronic spins against magnetic field fluctuations. The analysis of the microwave transmission shows that the spin-photon coupling also becomes maximum at these transitions. The results show that engineering spin-clock states of molecular systems offers a promising strategy to combine sizable spin-photon interactions with a sufficient isolation from unwanted magnetic noise sources.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Combinatorial split-ring and spiral metaresonator for efficient magnon-photon coupling

Developing hybrid materials and structures for electromagnetic wave engineering has been a promising route towards novel functionalities and tunabilities in many modern applications. Despite its established success in engineering optical light and terahertz waves, the implementation of metaresonators operating in the microwave band is still emerging, especially the implementation of metaresonators that allow on-chip integration and size miniaturization, which is crucial for developing hybrid quantum systems in the microwave band. In this work, we present a microwave metaresonator consisting of split-ring and spiral resonators, and implement it for the investigation of photon-magnon coupling for hybrid magnonic applications. We observe broadened bandwidth of the split-ring modes augmented by the additional spiral resonator, and, by coupling the modes to a magnetic sample, the resultant photon-magnon coupling can be significantly enhanced by more than tenfold. Furthermore, our work suggests that combinatorial, hybrid microwave resonators may be a promising approach towards future development and implementation of photon-magnon coupling in hybrid magnonic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Collective modes in excitonic insulators: Effects of electron-phonon coupling and signatures in the optical response

Here, we consider a two-band spinless model describing an excitonic insulator (EI) on the two-dimensional square lattice with anisotropic hopping parameters and electron-phonon (el-ph) coupling, inspired by the EI candidate Ta 2 NiSe 5 . We systematically study the nature of the collective excitations in the ordered phase which originates from the interband Coulomb interaction and the el-ph coupling. When the ordered phase is stabilized only by the Coulomb interaction (pure EI phase), its collective response exhibits a massless phase mode in addition to the amplitude mode. We show that in the BEC regime, the signal of the amplitude mode becomes less prominent and that the anisotropy in the phase-mode velocities is reduced. Through coupling to the lattice, the phase mode acquires a mass and the signal of the amplitude mode becomes less prominent. Importantly, the character of the softening mode at the boundary between the normal semiconductor phase and the ordered phase depends on the parameters. In particular, we point out that even for el-ph coupling smaller than the Coulomb interaction, the mode that softens to zero at the boundary can have a phonon character. We also discuss how the collective modes can be observed in the optical conductivity. Furthermore, we study the effects of nonlocal interactions on the collective modes and show the possibility of realizing a coexistence of an in-gap mode and an above-gap mode split off from the single-amplitude mode in the system with local interactions only.

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 OSTI2020

Microscopic study of the coupled-wire construction and plausible realization in spin-dependent optical lattices

Coupled-wire constructions offer particularly simple and powerful models to capture the essence of strongly correlated topological phases of matter. They often rely on effective theories valid in the low-energy and strong-coupling limits, which impose severe constraints on the physical systems where they could be realized. In this work, we investigate the microscopic relevance of a class of coupled-wire models and their possible experimental realization in cold-atom experiments. We connect with earlier results and prove the emergence of fractional quantum Hall states in the limit of strong interwire tunneling. Contrary to previous studies relying on renormalization group arguments, our microscopic approach exposes the connection between coupled-wire constructions and model wave functions in continuum Landau levels. Then, we use exact-diagonalization methods to investigate the appearance of these fractional quantum Hall states in more realistic settings. We examine the parameter regimes where these strongly correlated phases arise, and provide a way to detect their appearance in cold-atom experiments through standard time-of-flight measurements. Motivated by this experimental probe, we finally propose a realization of our model with cold atoms in spin-dependent optical lattices. Our estimates show that the previous fractional quantum Hall phases lie within experimentally accessible parameter regimes, giving a viable route toward their experimental study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Experimental demonstration of coupled multi-peak Bragg coherent diffraction imaging with genetic algorithms

Bragg coherent diffraction imaging has the potential to provide significant insight into the structure-properties relationship for crystalline materials by imaging, with nanoscale resolution, three-dimensional strain fields within individual grains and nanoparticles. The capability of present-day synchrotrons to locate and measure a multiplicity of Bragg reflections from a single grain makes it possible to recover the full strain tensor with nanometer resolution. Recent methods for coupling reconstructions from several peaks to determine the strain tensor have been developed and applied to synthetic data, but have not been applied to experimental data. Here, using a coupled genetic reconstruction algorithm, we reconstruct an experimental data set and demonstrate improvements in the ability to resolve vector-valued displacement fields internal to the particle as compared to what is achieved with a noncoupled approach. The coupled approach developed in this work was also validated on simulated data sets. In both simulated and experimental data, reconstructions from our coupled Bragg peak algorithm show improvements over the noncoupled independent reconstruction method of 5% in terms of accuracy and 53% in terms of consistency.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Continuum model of strong light-matter coupling for molecular polaritons

Strong coupling between light and matter generates hybrid polariton modes. We present a continuum formalism that expresses the polariton modes in terms of light and matter densities of states (DOS). We derive exact expressions for the light and matter DOS for a planar cavity containing a strongly dispersive dielectric.We show that these DOS depend exclusively on the linear response of the cavity components, i.e., the reflectance of the mirrors and the susceptibility of the dielectric. Here, we further show that, within the strong coupling regime, the light and matter DOS are well approximated by coupled mode theory. Altogether, our continuum formalism offers a unified treatment of polaritons that connects the framework of light-matter coupling with that of linear dispersion.

36 MATERIALS SCIENCE↗