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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Ω 3⁢𝑐 ⁢𝑁⁢𝑁 and Ω 3⁢𝑐 ⁢Ω 3⁢𝑐 ⁢𝑁 systems with HAL QCD potentials

Here, this study employs the Faddeev formalism in configuration space to investigate the Ω 3⁢𝑐 ⁢𝑁⁢𝑁 cluster containing a triply charmed Omega baryon (Ω 3⁢𝑐 ). Using the recently reported HAL QCD 𝑆-wave Ω 3⁢𝑐 ⁢𝑁 potentials in the 3 𝑆 1 and 5 𝑆 2 channels, together with the MT-I–III nucleon-nucleon potential and neglecting the Coulomb force, we find no bound state for the Ω 3⁢𝑐 ⁢𝑛⁢𝑝 system. We predict near-threshold resonances in the 𝐽 𝜋 =5/2 + (maximal total spin) and 𝐽 𝜋 =1/2 + (minimal total spin) states, with resonance energies of 1.1 MeV below and 0.0 MeV at the three-body breakup threshold, respectively, at Euclidean time 𝑡/𝑎 =16. A similar analysis of the Ω 3⁢𝑐⁢ Ω 3⁢𝑐⁢ 𝑁 system likewise reveals no bound states, though a possible resonance is indicated.

few-body systems↗
DOE OSTI2025

First measurement of 𝑎$^{0}_{2}$⁡(1320) polarized photoproduction cross section

We measure for the first time the differential photoproduction cross section dσ/dt of the a 2 (1320) meson at an average photon beam energy of 8.5 GeV, using data with an integrated luminosity of 104 pb −1 collected by the GlueX experiment. We fully reconstruct the γp → ηπ 0 p reaction and perform a partial-wave analysis in the a 2 (1320) mass region with amplitudes that incorporate the linear polarization of the beam. This allows us to separate for the first time the contributions of natural- and unnatural-parity exchanges. Furthermore, these measurements provide novel information about the photoproduction mechanism, which is critical for the search for spin-exotic states.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Multigap electron-phonon superconductivity in the quasi-one-dimensional pnictide K 2 Mo 3 As 3

In this work, we show, using density functional calculations, that quasi-one-dimensional K 2 Mo 3 As 3 , which is closely related to K 2 Cr 3 As 3 and has very similar superconducting properties, is not close to magnetism and has conventional s wave electron-phonon superconductivity. This superconductivity is of multigap character due to different coupling on different Fermi surface sheets. This is discussed in relation to the properties of this family of quasi-one-dimensional pnictide superconductors. The results show that this family of superconductors provides a unique opportunity for studying the interplay of spin fluctuations and electron-phonon superconductivity in transition metal pnictides, and offer a path for sorting out the different proposed superconducting scenarios in this fascinating family of pnictide superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Coupled Hubbard ladders at weak coupling: Pairing and spin excitations

The Hubbard model provides a simple framework in which one can study how certain aspects of the electronic structure of strongly interacting systems can be tuned to optimize the superconducting pairing correlations and how these changes affect the mechanisms giving rise to them. Here we use a weak-coupling random phase approximation to study a two-dimensional Hubbard model with a unidirectional modulation of the hopping amplitudes as the system evolves from the uniform square lattice to an array of weakly coupled two-leg ladders. We find that the pairing correlations retain their dominant d x 2 - y 2- wavelike structure and that they are significantly enhanced for a slightly modulated lattice. This enhancement is traced backed to an increase in the strength of the spin-fluctuation pairing interaction due to favorable Fermi surface nesting in the modulated system. We then use a random-phase approximation BCS framework to examine the evolution of the neutron resonance in the superconducting state. We find that it changes only weakly for moderate modulations, but breaks up into two distinct resonances at incommensurate wave vectors in the limit of weakly coupled ladders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Spin-texture-driven electrical transport in multi-Q antiferromagnets

Abstract Unusual magnetic textures can be stabilized in f -electron materials due to the interplay between competing magnetic interactions, complex Fermi surfaces, and crystalline anisotropy. Here we investigate CeAuSb 2 , an f -electron incommensurate antiferromagnet hosting both single- Q and double- Q spin textures as a function of magnetic fields ( H ) applied along the c axis. Experimentally, we map out the field-temperature phase diagram via electrical resistivity and thermal expansion measurements. Supported by calculations of a Kondo lattice model, we attribute the puzzling magnetoresistance enhancement in the double- Q phase to the localization of the electronic wave functions caused by the incommensurate magnetic texture.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The role of intermediate ΔΔ states in nucleon–nucleon scattering in the large-Nc and unitary limits, and ΔΔ and ΩΩ scattering

We explore potential explanations for why using large-Nc (Nc is the number of colors) scaling to determine the relative size of few-nucleon low-energy operators agrees with experiment even when dynamical Δ’s are not explicitly included. Given that the large-Nc analysis is predicated on the nucleons and Δ’s being degenerate, this is a curious result. We show that for purely S-wave interactions the relationships dictated by large-Nc scaling are unaffected whether the Δ is included or not. In the case of higher partial waves that do not mix with S-waves, the impact of the Δ is perturbative, which makes the agreement with naive (Δ-less) large-Nc ordering unsurprising. For higher partial waves that mix with S-waves, the nucleon and Δ would need to decouple to get agreement with naive large-Nc ordering. We find all NN, ΔN, and ΔΔ low energy coefficients for leading-order baryon–baryon scattering in Δ-full pionless effective field theory in terms of the two independent parameters dictated by the SU(2F) spin-flavor symmetry that arises in the Nc → ∞ limit. Because of recent lattice quantum chromodynamics results and experimental interest, we extend our analysis to the three-flavor case to study ΩΩ scattering. We show that in the unitary limit (where scattering lengths become infinite) one of the two SU(2F) parameters is driven to zero, resulting in enhanced symmetries, which agree with those found in spin-1/2 entanglement studies.

Richardson, Thomas R↗
DOE OSTI2023

Future Studies of Dihadron Production in SIDIS

Spin asymmetry and cross section measurements in semi-inclusive hadroproduction grant access to a variety of parton distribution and fragmentation functions. Such measurements of dihadron production additionally constrain Dihadron Fragmentation Functions (DiFFs), and the extra degree of freedom from the second hadron facilitates access to some of the parton distribution functions. At CLAS kinematics, subleading-twist parton distributions are accessible in dihadron beam-spin and target-spin asymmetries, and a comparison of semi-inclusive scattering off a proton and a deuteron probes their flavor dependence. The future Electron-Ion Collider (EIC) with a transversely polarized proton will access several transverse-momentum dependent distributions such as Sivers and transversity. On the fragmentation side, numerous DiFFs are accessible, and their partial wave expansion probes correlations between the angular momentum of the fragmenting parton with that of the observed dihadron. Furthermore, different hadron channels probe flavor dependence in fragmentation. Together with CLAS, the EIC as well as CLAS with the proposed 22 GeV accelerator upgrade will cover a broad range of $Q^2$ and $x$, allowing for the study of evolution effects of all of these functions. This presentation will summarize the possibilities of these measurements at CLAS and at future experimental facilities.

Dilks, Christopher↗
DOE OSTI2023

Hindered segmental dynamics in associative protein hydrogels studied by neutron spin-echo spectroscopy

Transient binding between associating macromolecules can cause qualitative changes to chain dynamics, including modes of conformational relaxation and diffusion, through tethering effects imparted by long-range connectivity. Here, in this work, the role of binding on short-time segmental dynamics in associative polymer gels is investigated by neutron spin-echo (NSE) measurements on a class of model artificial coiled-coil proteins with a systematically varied architecture, probing timescales of 0.1–130 ns, and length scales close to the molecular radius of gyration. The results illustrate effects of transient cross-linking on chain dynamics on different timescales, manifested in changes in segmental relaxation behavior with variations in strand length, chain concentration, and sticker distribution (endblock- vs midblock-functionalized). In all gels, a short-time cooperative diffusion mode is seen over all wave vectors, analogous to a semidilute solution, with no transitions seen at any known structural length scale. However, the diffusion coefficients are found to decrease with increasing junction density across all gels, with the strand length and number of stickers per chain in each gel appearing to play a relatively minor role. The slowing of cooperative diffusion with junction density contrasts with classical predictions of a greater restoring force for fluctuation dissipation due to the increased elasticity, suggesting additional effects of the coiled-coil junctions such as an enhancement in local viscosity that slows dynamics. Notably, the relaxation rates for all gels can be rescaled by the interjunction spacing inferred from small-angle neutron scattering, where they collapse onto a master curve suggestive of self-similar dynamics even in networks with different strand lengths and chain architectures. On long timescales (but shorter than the junction exchange time), a slowing of network relaxation is observed, resulting in a nondecaying plateau in the spin-echo amplitude attributed to a freezing of chain dynamics due to tethering. A characteristic length scale corresponding to the extent of dynamic fluctuations is estimated for each gel, which appears to be smaller than the interjunction spacing but similar to the correlation blob size of the overlapping strands. The results indicate an important role of transient binding on molecular-scale dynamics in associative polymer gels, even on timescales shorter than the junction exchange time, in addition to its effects on long-range self-diffusion previously observed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Biexciton Condensation in Electron-Hole-Doped Hubbard Bilayers: A Sign-Problem-Free Quantum Monte Carlo Study

The bilayer Hubbard model with electron-hole doping is an ideal platform to study excitonic orders due to suppressed recombination via spatial separation of electrons and holes. However, suffering from the sign problem, previous quantum Monte Carlo studies could not arrive at an unequivocal conclusion regarding the presence of phases with clear signatures of excitonic condensation in bilayer Hubbard models. Here, we develop a determinant quantum Monte Carlo algorithm for the bilayer Hubbard model that is sign-problem-free for equal and opposite doping in the two layers and study excitonic order and charge and spin density modulations as a function of chemical potential difference between the two layers, on-site Coulomb repulsion, and interlayer interaction. In the intermediate coupling regime and in proximity to the SU(4)-symmetric point, we find a biexcitonic condensate phase at finite electron-hole doping, as well as a competing (π, π) charge density wave state. In this study, we extract the Berezinskii-Kosterlitz-Thouless transition temperature from superfluid density and a finite-size scaling analysis of the correlation functions and explain our results in terms of an effective biexcitonic hard-core boson model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Lessons Learned: Summary of Insights From the HERO WEC and Waves to Water Deployments Between 2022 and 2024

In 2020, a team from the National Renewable Energy Laboratory (NREL) partnered with the East Carolina University Coastal Studies Institute to develop a small, modular, wave-powered point absorber desalination prototype. That prototype, known as the hydraulic and electric reverse osmosis wave energy converter (HERO WEC), was intended to de-risk the installation activities planned for the Waves to Water Prize sponsored by the Water Power Technologies Office. The NREL team was given approximately 18 months to design, build, bench test, and deploy the HERO WEC prototype. Since the initial HERO WEC development, it has been used for two in-lab test programs and three ocean deployments. The first in-lab test program focused on ensuring that the overall operation of the device occurred as expected and on validating the operation of safety systems such as pressure relief valves or electrical breakers for load mitigation. The second in-lab test program was the first time the NREL team leveraged NREL’s large-amplitude motion platform to characterize the performance of the HERO WEC. Of the three in-water deployments, the first deployment was effectively an installation and recovery practice with no meaningful wave activity during the time that it was installed. The second deployment was a 2-week effort that enabled both the electric and hydraulic configurations of the device to be in the water for approximately 5 days each. This deployment was also the first time that the team had the opportunity to perform a drivetrain swap on the Coastal Studies Institute research vessel. The third deployment had to be split into two separate installations due to minor damage incurred from the WEC spinning during the initial installation. This report summarizes the deployments, the challenges encountered with each deployment, and the lessons learned for future work.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition

Here, we introduce the Wannier function decomposition of excitons (WFDX) method to quantify exciton localization in solids within the ab initio Bethe-Salpeter equation framework. By decomposing each Bloch exciton wave function into products of single-particle electron and hole maximally localized Wannier functions, this real-space approach provides well-defined orbital- and spatial-resolved measures of both Frenkel and charge-transfer excitons at low computational cost. We apply WFDX to excitons in acene crystals, quantifying how the number of rings, the exciton spin state, and the center-of-mass momentum affect spatial localization. Additionally, we show how this real-space representation reflects structural nonsymmorphic symmetries that are hidden in standard reciprocal-space descriptions. We demonstrate how the WFDX framework can be used to efficiently interpolate exciton expansion coefficients in reciprocal-space and outline how it may facilitate evaluation of observables involving position operators, highlighting its potential as a general tool for both analyzing and computing excitonic properties in solids.

Tao, Zui [University of California, Berkeley, CA (↗
DOE OSTI2021

Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory

Abstract Donor spins in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.

Joecker, Benjamin (ORCID:0000000302635440)↗
DOE OSTI2024

Detecting Multipartite Entanglement Patterns Using Single-Particle Green’s Functions

Here, we present a protocol for detecting multipartite entanglement in itinerant many-body electronic systems using single-particle Green’s functions. To achieve this, we first establish a connection between the quantum Fisher information and single-particle Green’s functions by constructing a set of witness operators built out of single electron creation and destruction operators in a doubled system. This set of witness operators is indexed by a momentum k. We compute the quantum Fisher information for these witness operators and show that for thermal ensembles it can be expressed as an autoconvolution of the single-particle spectral function. We then apply our framework to a one-dimensional fermionic system to showcase its effectiveness in detecting entanglement in itinerant electron models. We observe that the detected entanglement level is sensitive to the wave vector associated with witness operator. Our protocol will permit detecting entanglement in many-body systems using scanning tunneling microscopy and angle-resolved photoemission spectroscopy, two spectroscopies that measure the single-particle Green’s function. It offers the prospect of the experimental detection of entanglement through spectroscopies beyond the established route of measuring the dynamical spin response.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Strain engineering of the charge and spin-orbital interactions in Sr2IrO4

In the high spin–orbit-coupled Sr 2 IrO 4 , the high sensitivity of the ground state to the details of the local lattice structure shows a large potential for the manipulation of the functional properties by inducing local lattice distortions. We use epitaxial strain to modify the Ir–O bond geometry in Sr 2 IrO 4 and perform momentum-dependent resonant inelastic X-ray scattering (RIXS) at the metal and at the ligand sites to unveil the response of the low-energy elementary excitations. Furthermore, we observe that the pseudospin-wave dispersion for tensile-strained Sr 2 IrO 4 films displays large softening along the [h,0] direction, while along the [h,h] direction it shows hardening. This evolution reveals a renormalization of the magnetic interactions caused by a strain-driven cross-over from anisotropic to isotropic interactions between the magnetic moments. Moreover, we detect dispersive electron–hole pair excitations which shift to lower (higher) energies upon compressive (tensile) strain, manifesting a reduction (increase) in the size of the charge gap. This behavior shows an intimate coupling between charge excitations and lattice distortions in Sr 2 IrO 4 , originating from the modified hopping elements between the t 2g orbitals. Our work highlights the central role played by the lattice degrees of freedom in determining both the pseudospin and charge excitations of Sr 2 IrO 4 and provides valuable information toward the control of the ground state of complex oxides in the presence of high spin–orbit coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Phase transitions of the ferroelectric (ND 4 ) 2 FeCl 5 ·D 2 O under magnetic field

Due to the strong coupling between magnetism and ferroelectricity, (ND 4 ) 2 FeCl 5 ·D 2 O exhibits several intriguing magnetic and electric phases. In this Letter, we include higher-order onsite anisotropic spin interactions to explain the ferroelectric phase transitions of (ND 4 ) 2 FeCl 5 ·D 2 O in a magnetic field and to produce the large weights of high-order harmonic components in the cycloid structure that are observed from neutron diffraction experiments. Moreover, we predict a new ferroelectric phase sandwiched between the FE II and FE III phases in a magnetic field. Furthermore, by emphasizing the importance of the higher-order spin anisotropic interactions, our work provides a framework to understand multiferroic materials with rich phase diagrams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Polarization‐Engineered Near‐Field Generation Using a Hybrid Tip–Antenna System

Precise control of light polarization at the nanoscale is critical for accessing chiral optical responses and manipulating spin–photon interactions in advanced materials. Yet, conventional scattering-type near-field probes predominantly generate out-of-plane linear polarization and offer little control over phase or polarization state. Here, in this study, we introduce a polarization-engineered near-field methodology based on a combined metallic tip and planar dipole nanoantenna system. Using full-wave electromagnetic simulations, we show that the tip acts as a vertically oriented plasmonic resonator, while the antenna supports an in-plane dipolar mode. By tuning the tip–antenna geometry and tip height, the two orthogonal field components attain comparable amplitudes and a controllable ∼90° phase offset, producing circularly polarized nano-light in the antenna gap. The proposed system effectively functions as a nanoscale quarter-wave plate, converting linearly polarized illumination into circularly polarized hotspots without external polarization optics. This method establishes an experimentally accessible route toward polarization-programmable near-field nanoscopy, enabling chiral spectroscopy, selective excitation of spin/valley degrees of freedom, and quantum optical investigations at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interlayer magnetophononic coupling in MnBi2Te4

Abstract The emergence of magnetism in quantum materials creates a platform to realize spin-based applications in spintronics, magnetic memory, and quantum information science. A key to unlocking new functionalities in these materials is the discovery of tunable coupling between spins and other microscopic degrees of freedom. We present evidence for interlayer magnetophononic coupling in the layered magnetic topological insulator MnBi 2 Te 4 . Employing magneto-Raman spectroscopy, we observe anomalies in phonon scattering intensities across magnetic field-driven phase transitions, despite the absence of discernible static structural changes. This behavior is a consequence of a magnetophononic wave-mixing process that allows for the excitation of zone-boundary phonons that are otherwise ‘forbidden’ by momentum conservation. Our microscopic model based on density functional theory calculations reveals that this phenomenon can be attributed to phonons modulating the interlayer exchange coupling. Moreover, signatures of magnetophononic coupling are also observed in the time domain through the ultrafast excitation and detection of coherent phonons across magnetic transitions. In light of the intimate connection between magnetism and topology in MnBi 2 Te 4 , the magnetophononic coupling represents an important step towards coherent on-demand manipulation of magnetic topological phases.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Large negative magnetoresistance in antiferromagnetic G⁡d 2 ⁢S⁢e 3

Rare earth chalcogenides provide a great platform to study exotic quantum phenomena such as superconductivity and charge density waves. Among various interesting properties, the coupling between magnetism and electronic transport has attracted significant attention. Here, we report the investigation of such coupling in α-G⁡d 2⁢ S⁢e 3 single crystals through magnetic, calorimetric, and transport property measurements. α-G⁡d 2 ⁢S⁢e 3 is found to display an antiferromagnetic ground state below 11 K with metamagnetic spin-flop transitions. The magnetic fluctuations remain strong above the transition temperature. Transport measurements reveal an overall metallic transport behavior with a large negative magnetoresistance of approximately 65% near the magnetic transition temperature, together with positive magnetoresistance near the field-induced spin-flop transitions, which can be understood in terms of the suppression of spin scattering by the magnetic field.

electrical properties↗