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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

In-Plane Anisotropy of Charge Density Wave Fluctuations in 1⁢𝑇−TiSe 2

We report measurements of anisotropic triple-𝑞 charge density wave (CDW) fluctuations in the transition metal dichalcogenide 1⁢𝑇−TiSe 2 over a large volume of reciprocal space with x-ray diffuse scattering. Above the transition temperature, 𝑇 CDW , the in-plane diffuse scattering is marked by ellipses which reveal that the in-plane fluctuations are anisotropic. In addition, the out-of-plane diffuse scattering is characterized by rodlike structures which indicate that the CDW fluctuations in neighboring layers are largely decoupled. Furthermore, our analysis of the diffuse scattering line shapes and orientations suggests that the three charge density wave components contain independent phase fluctuations with a hierarchy of length scales, leading to intricate fluctuation patterns that go beyond the conventional 2D-to-3D crossover picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

𝑙-forbidden 𝑀⁢1 strengths near 100 Sn from knockout reactions in Cd and Sn

Neutron knockout reactions on beams of 104,102 Cd and 104 Sn are presented. States in the residual 103,101 Cd and 103 Sn nuclei are populated, including low-lying 7/2 + states of 𝜈⁢𝑔 7/2 character. These states have half-lives ≈ 400 ps due to their low energy and hindered 𝐵⁡(𝑀⁢1;7/2 + →5/2 + ) strengths. The excited-state half-lives were measured using their Doppler-shifted line shapes, and the resulting 𝐵⁡(𝑀⁢1) strengths are compared to valence space in medium similarity renormalization group (VS-IMSRG) calculations. Lastly, the VS-IMSRG calculations underpredict the 𝑙-forbidden 𝑀⁢1 strengths in the 100 Sn region, as well as in other regions of the nuclear chart near 40 Ca and 208 Pb.

90 ≤ A ≤ 149↗
DOE OSTI2024

Fluorescence-mediated postcollision interaction in x-ray photoionization of the Xe 𝐾 edge

Postcollision interaction (PCI) in near-threshold photoionization of the K shell of atomic Xe is investigated with hard-x-ray synchrotron radiation. Applying Auger electron spectroscopy, line-shape distortion is monitored in the K-L 2 → L 2 M 4,5 M 4,5 decay channel, where the initial K-L 2 (Kα 2 ) x-ray-emission step mediates the emission of the two continuum electrons. The K-edge result is compared to similar data obtained on direct L 2 M 4,5 M 4,5 decay at the L 2 edge without x-ray-emission. In conclusion, it is found that the evolution of the PCI shift with excess photon energy is very similar at both edges, but a subtle decrease in the PCI shift is observable at the K edge due to the effect of the ultrafast x-ray emission step delaying the PCI energy exchange by a few attoseconds.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Phonon Transport Controlled by Ferromagnetic Resonance

The resonant coupling of phonons and magnons is important for the interconversion of phononic and spin degrees of freedom. We study the phonon transmission in LiNbO 3 manipulated by the dynamic magnetization in a Ni thin film. It is observed that the phonons can be absorbed strongly through resonant magnon-phonon coupling, which is realized by our modifying the magnon-phonon coupling within the Ni itself as well as our optimizing the interfacial coupling between Ni and LiNbO 3 . The line shapes of phonon transmission are further investigated considering the magnon-phonon interconversion in the elastically driven ferromagnetic resonance process. The results promote unique routes for phonon manipulation and detection in the presence of magnetization dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Uncovering electron-phonon scattering and phonon dynamics in type-I Weyl semimetals

Studies of topological semimetals have revealed spectacular transport phenomena spanning extreme magnetoresistance effects and ultrahigh mobilities. As phonon dynamics and electron-phonon scattering play a critical role in the electrical and thermal transport, in this work we pursue a fundamental understanding of these effects in type-I Weyl semimetals NbAs and TaAs. In the temperature-dependent Raman spectra of NbAs we reveal a previously unreported Fano line shape, a signature stemming from the electron-phonon interaction. Additionally, the temperature dependence of the A 1 phonon linewidths in both NbAs and TaAs strongly deviate from the standard model of anharmonic decay. To capture the mechanisms responsible for the observed Fano asymmetry and the atypical phonon linewidth, we present first-principles calculations of the phonon self-energy correction due to the electron-phonon interaction. Through this study of the phonon dynamics and electron-phonon interaction in these Weyl semimetals, we consider specific microscopic pathways which could contribute to the nature of their macroscopic transport.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Coupling of fully symmetric As phonon to magnetism in Ba(Fe 1-x Au x ) 2 As 2

In this work, we study the coupling of the fully symmetric vibration mode of arsenic atoms to magnetism in a Ba ( Fe 1 - x Au x ) 2 As 2 system by polarization-resolved Raman spectroscopy and neutron diffraction. In this system, there are two phase transitions: a tetragonal-to-orthorhombic structural phase transition at temperature T S and a magnetic phase transition into collinear spin-density wave (SDW) state at temperature T N ( ≤ T S ). T S and T N almost coincide in the pristine compound, whereas they differ by as much as 8 K for compounds with dilute gold substitution for iron. Raman coupling to the A g (As) phonon is forbidden for the X Y scattering geometry in the tetragonal phase above T S , whereas it becomes allowed in the orthorhombic phase below T S : The emerging mode's intensity indicates the lattice orthorhombicity. Furthermore, we find that upon cooling below T S , first, weak A g (As) phonon mode intensity appears in the X Y scattering geometry spectra; however, the mode's intensity is significantly enhanced in the magnetic phase below T N . The A g (As) phonon also shows an asymmetric line shape below T N and an anomalous linewidth broadening upon Au doping. We describe the anomalous behavior of the A g (As) mode in the X Y scattering geometry using a Fano model involving the A g (As) phonon interacting with the B 2 g ( D 4 h )-symmetry-like electron-hole continuum. We conclude that the temperature dependence of light coupling amplitude to the A g (As) phonon follows the evolution of the magnetic order parameter M ( T ) . We propose that the intensity enhancement of the A g (As) phonon in the X Y scattering geometry below T N is due to electronic anisotropy induced by the collinear SDW order parameter.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Anisotropic Fano resonance in the Weyl semimetal candidate LaAlSi

Topological Weyl semimetal (WSM) is a solid-state realization of chiral Weyl fermions, whose phonon behaviors provide in-depth knowledge of their electronic properties. In this work, anisotropic Fano resonance is observed in a type-II WSM candidate LaAlSi by polarized Raman spectroscopy. The asymmetric line shape occurs for the $B^2_1$ phonon mode of LaAlSi only for 488- and 532-nm laser excitations but not for 364-, 633-, and 785-nm excitations, suggesting the excitation selectivity. The asymmetry, frequency, and linewidth of the $B^2_1$ phonon mode, along with the spectral background, all show fourfold rotational symmetry as a function of the polarization angle in the polarized Raman spectra. While the shift of Raman frequency in a metal or semimetal is typically attributed to Kohn anomaly, here we show that the anisotropic frequency shift in LaAlSi cannot be explained by the effect of Kohn anomaly, but potentially by the anisotropic scattering background of Fano resonance. Origins of the excitation-energy dependence and anisotropic behavior of the Fano resonance are discussed by the first-principles calculated electronic band structure and phonon dispersion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electron thermalization and relaxation in laser-heated nickel by few-femtosecond core-level transient absorption spectroscopy

Direct measurements of photoexcited carrier dynamics in nickel are made using few-femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy at the nickel M 2,3 edge. It is observed that the core-level absorption line shape of photoexcited nickel can be described by a Gaussian broadening (σ) and a red shift (ω s ) of the ground-state absorption spectrum. Theory predicts and the experimental results verify that after initial rapid carrier thermalization, the electron temperature increase (ΔT ) is linearly proportional to the Gaussian broadening factor σ, providing quantitative real-time tracking of the relaxation of the electron temperature. Measurements reveal an electron cooling time for 50 nm thick polycrystalline nickel films of 640 ± 80 fs. With hot thermalized carriers, the spectral red shift exhibits a power-law relationship with the change in electron temperature of ω s ∝ ΔT 1.5 . Rapid electron thermalization via carrier-carrier scattering accompanies and follows the nominal 4-fs photoexcitation pulse until the carriers reach a quasithermal equilibrium. Entwined with a <6 fs instrument response function, carrier thermalization times ranging from 34 fs to 13 fs are estimated from experimental data acquired at different pump fluences and it is observed that the electron thermalization time decreases with increasing pump fluence. Here, the study provides an initial example of measuring electron temperature and thermalization in metals in real time with XUV light, and it lays a foundation for further investigation of photoinduced phase transitions and carrier transport in metals with core-level absorption spectroscopy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electronic structure of rhombohedral Cr X 3 ( X = Br, Cl, I) van der Waals crystals

We perform a comprehensive analysis of both the chemical and correlated electronic structure reconstruction of rhombohedral Cr X 3 (X = Br, Cl, I) van der Waals bulk crystals. Using the generalized gradient approximation (GGA) plus dynamical mean-field theory we explicitly demonstrate the importance of local dynamical correlations for a consistent understanding of emergent Kondo quasiparticles and Mott localized electronic states, showing the interplay between material-dependent one-electron GGA line-shape and multiorbital electronic interactions. To probe the correlated paramagnetic electronic state we performed x-ray absorption spectroscopy measurements for CrCl 3 and CrBr 3 bulk crystals. Furthermore, our correlated many-body study is relevant to understanding the electronic structure reconstruction of paramagnetic Cr-trihalide crystals and should be widely applicable to other van der Waals magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Insights into hyperbolic phonon polaritons in h – BN using Raman scattering from encapsulated transition metal dichalcogenide layers

Alternative techniques for probing hyperbolic phonon polaritons (HPPs) in two-dimensional materials will support the development of the emerging technologies in this field. Previous reports have shown that it is possible for W Se 2 monolayers in contact with the hexagonal boron nitride (h– BN) to generate HPPs in the h– BN via Raman scattering. In this paper, we set out our results on HPP Raman scattering induced in h– BN by W Se 2 and Mo Se 2 monolayers including multiple resonances at which the Raman scattering is enhanced. Analysis of the observed Raman line shapes demonstrates that Raman scattering allows HPPs with wave vectors with magnitudes significantly in excess of 15 000 cm –1 to be probed. Finally, we present evidence that the Raman scattering can probe HPPs with frequencies less than the expected lower bound on the reststrahlen band, suggesting new HPP physics still waits to be discovered.

2-dimensional systems↗
DOE OSTI2022

Spin-polarized imaging of strongly interacting fermions in the ferrimagnetic state of the Weyl candidate CeBi

CeBi has an intricate magnetic phase diagram whose fully polarized state has recently been suggested as a Weyl semimetal, though the role of f states in promoting strong interactions has remained elusive. Here we focus on the less-studied but also time-reversal symmetry-breaking ferrimagnetic phase of CeBi, where our density functional theory (DFT) calculations predict additional Weyl nodes near the Fermi level E F . We use spin-polarized scanning tunneling microscopy and spectroscopy to image the surface ferrimagnetic order on the itinerant Bi p states, indicating their orbital hybridization with localized Ce f states. We observe suppression of this spin-polarized signature at E F , coincident with a Fano line shape in the conductance spectra, suggesting the Bi p states partially Kondo screen the f magnetic moments, and this p – f hybridization causes strong Fermi-level band renormalization. Furthermore, the p-band flattening is supported by our quasiparticle interference measurements, which also show band splitting in agreement with DFT, painting a consistent picture of a strongly interacting magnetic Weyl semimetal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Entropy and Seebeck signals meet on the edges

Here, we explore the electronic entropy per particle s and Seebeck coefficient S in zigzag graphene ribbons. Pristine and edge-doped ribbons are considered using tight-binding models to inspect the role of edge states in the observed thermal transport properties. As a band gap opens when the ribbons are doped at one or both edges, due to asymmetric edge potentials, we find that s and S signals are closely related to each other: both develop sharp dip-peak line shapes as the chemical potential lies in the gap, while the ratio s/S exhibits a near-constant value equal to the elementary charge e at low temperatures. This constant ratio suggests that S can be seen as the transport differential entropy per charge, as suggested by some authors. Our calculations also indicate that measurement of s and S may be useful as a spectroscopic probe of different electronic energy scales involved in such quantities in gapped materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

NMR study of Ni 50+x ⁢Ti 50-x strain glasses

Here, we studied Ni 50+x ⁢Ti 50-x with compositions up to x = 2, performing 47 Ti and 49 Ti nuclear magnetic resonance (NMR) measurements from 4 to 400 K. For large x in this system, a strain glass appears in which frozen ferroelastic nanodomains replace the displacive martensite structural transition. Here, we demonstrate that NMR can provide an extremely effective probe of the strain-glass freezing process, with large changes in NMR line shape due to the effects of random strains which become motionally narrowed at high temperatures. At the same time with high-resolution x-ray diffraction we confirm the lack of structural changes in x ≥ 1.2 samples, while we show that there is little change in the electronic behavior across the strain-glass freezing temperature. NMR spin-lattice relaxation time (T 1 ) measurements provide a further measure of the dynamics of the freezing process, and indicate a predominantly thermally activated behavior both above and below the strain-glass freezing temperature. We show that the strain-glass results are consistent with a very small density of critically divergent domains undergoing a Vogel-Fulcher-type freezing process, coexisting with domains exhibiting faster dynamics and stronger pinning.

36 MATERIALS SCIENCE↗
DOE OSTI2024

First-Principles Treatment of Vibrational Broadening in X-Ray Excited Valence Band Spectra for n-SrTiO 3 (001)

The valence band maximum (VBM) is an important quantity for semiconductors as it locates the Fermi level relative to the band edge. Accurate measurement of this quantity in near-surface regions of semiconductors by photoemission is a first step toward determining the electronic properties of heterostructures involving these materials. While extrapolating the leading edge of the valence band to the energy axis in photoemission spectra is a widely used way to find the VBM, this method can be ambiguous if the leading edge exhibits multiple slopes. Another way to determine the VBM is to fit the leading edge to an appropriately broadened, cross-section modulated theoretical density of states (DOS). Three kinds of broadening that should be included for maximum accuracy are those due to: (1) finite instrumental resolution, (2) valence hole lifetime, and (3) vibrational excitations. While steps (1) and (2) are straightforward to implement, (3) is more difficult because the appropriate amount of broadening is not known a priori. Here, we demonstrate that explicit inclusion of vibrational broadening using ab initio molecular dynamics facilitates accurate VBM determination for n-SrTiO 3 (001). The total DOS is constructed by summing time-averaged projections at elevated temperature onto s - , p - , and d orbitals for the constituent atoms and modulating with the associated photoemission cross sections. Subsequent convolutions of the total DOS, first with a Gaussian of width equal to the experimental energy resolution and second with a Lorentzian to simulate valence hole lifetime effects, yield line shapes that reproduce the experimental leading edges rather well. The VBM is then given by the energy at which the vibrationally broadened total DOS (prior to the convolutions) goes to zero. The VBMs generated by this method quantitatively agree with those resulting from extrapolating from the middle of the measured leading edge for SrTiO 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observation of paramagnetic spin-degeneracy lifting in EuZn 2 Sb 2

Taken together, time-reversal and spatial inversion symmetries impose a twofold spin degeneracy of the electronic states in crystals. In centrosymmetric materials, this degeneracy can be lifted by introducing magnetism, either via an externally applied field or through internal magnetization. However, a correlated alignment of spins, even in the paramagnetic phase, can lift the spin degeneracy of electronic states. Here, we report an in-depth study of the electronic band structure of the Eu-ternary pnictide EuZn 2 Sb 2 through a combination of high-resolution angle-resolved photoemission spectroscopy measurements and first-principles calculations. An analysis of the photoemission line shapes over a range of incident photon energies and sample temperatures is shown to reveal the presence of band spin-degeneracy lifting in the paramagnetic phase. Our angle-resolved photoemission spectroscopy results are in good agreement with theoretical ferromagnetic-phase calculations, which indicates the importance of ferromagnetic fluctuations in the system. Through our calculations, we predict that spin-polarized bands in EuZn 2 Sb 2 generate a single pair of Weyl nodes. Our observation of band splittingin EuZn 2 Sb 2 provides a key step toward realizing time-reversal symmetry breaking physics in the absence of long-range magnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Neutron-unbound states in 31 Ne

Background: The Island of Inversion near the N = 20 shell gap is home to nuclei with reordered single-particle energy levels compared to the spherical shell model. Studies of 31 Ne have revealed that its ground state has a halo component, characterized by a valence neutron orbiting a deformed 30 Ne core. This lightly-bound nucleus with a separation energy of only S n = 170 keV is expected to have excited states that are neutron unbound. Purpose: The purpose of this experiment was to investigate the low-lying excited states in 31 Ne that decay by the emission of a single neutron. Methods: An 89 MeV/u 33 Mg beam impinged on a segmented Be reaction target. Neutron unbound states in 31 Ne were populated via a two-proton knockout reaction. The 30 Ne fragment and associated neutron from the decay of 31 Ne were detected by the MoNA-LISA-Sweeper experimental setup at the National Superconducting Cyclotron Laboratory. Invariant mass spectroscopy was used to reconstruct the two-body decay energy ( 30 Ne + n). Results: The two-body decay energy spectrum exhibits two features: a low-lying peak at 0.30 ± 0.17 MeV and a broad enhancement at 1.50 ± 0.33 MeV, each fit with an energy-dependent asymmetric Breit-Wigner line shape representing a resonance in the continuum. Accompanying shell model calculations using the FSU interaction within NuShellX, combined with cross-section cal culations using the eikonal reaction theory, indicate that these peaks in the decay energy spectrum are caused by multiple resonant states in 31 Ne. Conclusions: In this study, excited states in 31 Ne were observed for the first time. Transitions from calculated shell model final states in 31 Ne to bound states in 30 Ne are in good agreement with the measured decay energy spectrum. Cross-section calculations for the two-proton knockout populating 31 Ne states as well as spectroscopic factors pertaining to the decay of 31 Ne into 30 Ne are used to examine the results within the context of the shell model expectations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Analog B ( M 1 ) strengths in the T z = ± 3 2 mirror nuclei Mn 47 and Ti 47

The lifetimes of the first excited 7 2 − states in the T z = ± 3 2 mirror nuclei Mn 47 and Ti 47 have been extracted utilizing the γ -ray line shape method, giving τ = 687 ( 36 ) ps and τ = 331 ( 15 ) ps respectively. Since these transitions are essentially pure M 1 transitions, these results allow for a high-precision comparison of analog M 1 strengths in mirror nuclei. The two analog B ( M 1 ) s are observed to be identical to a precision of about 10 % . The expected dependence of the transition matrix element with T z has been used to extract the separate isoscalar and isovector components of the transition strength, and the results are discussed in the context of predictions, based on the isospin formalism, regarding analog B ( M 1 ) strengths. Published by the American Physical Society 2024

39 ≤ A ≤ 58↗
DOE OSTI2025

Investigation of post-breakup Coulomb acceleration using a trajectory model

Intermediate mass fragments ejected during the deexcitation of excited projectilelike fragments may promptly decay following ejection; the daughter particles that are subsequently produced are subject to interactions with the residual nucleus that affect final-state observables, a process herein referred to as post-breakup Coulomb acceleration. A simple classical Coulomb interaction model was used to study modification of 8 Be (2 + ), 5 Li (3/2 – ), 7 Li (7/2 – ), 7 Be (7/2 – ), and states in 12 B emitted following heavy-ion collisions of 28 Si + 12 C at 35 MeV/nucleon. Here, in contrast to previous work studying 8 Be (2 + ), excellent agreement between simulation and experiment was obtained using only Coulomb forces when either a Lorentzian or R-matrix line shape was used to describe the initial relative energy rather than a Gaussian. In consideration of the obtained results, improvements to the model and evaluation of experimental data are discussed as future directions, but it was concluded that the effects observed in the present data can be accurately described using only elements of classical mechanics and that the process is largely understood for a wide range of state lifetimes and mass and charge (a)symmetries.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗