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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Large magnetoresistance and first-order phase transition in antiferromagnetic single-crystalline EuAg 4 Sb 2

Here, we present the results of a thorough investigation of the physical properties of EuAg 4 Sb 2 single crystals using magnetization, heat capacity, and electrical resistivity measurements. High-quality single crystals, which crystallize in a trigonal structure with space group 𝑅⁢$\bar{3}$𝑚, were grown using a conventional flux method. Temperature-dependent magnetization measurements along different crystallographic orientations confirm two antiferromagnetic phase transitions around 𝑇 𝑁⁢1 = 10.5K and 𝑇 𝑁⁢2 = 7.5K. Isothermal magnetization data exhibit several metamagnetic transitions below these transition temperatures. Antiferromagnetic phase transitions in EuAg 4 Sb 2 are further confirmed by two sharp peaks in the temperature-dependent heat capacity data at 𝑇 𝑁⁢1 and 𝑇 𝑁⁢2 , which shift to lower temperature in the presence of an external magnetic field. Our systematic heat capacity measurements utilizing a long-pulse and single-slope analysis technique allow us to detect a first-order phase transition in EuAg 4 Sb 2 at 7.5 K. The temperature-dependent electrical resistivity data also manifest two features associated with magnetic order. The magnetoresistance exhibits a broad hump due to a field-induced metamagnetic transition. Remarkably, the magnetoresistance keeps increasing without showing any tendency to saturate as the applied magnetic field increases, and it reaches ∼20 000% at 1.6 K and 60 T. At high magnetic fields, several magnetic quantum oscillations are observed, indicating a complex Fermi surface. A large negative magnetoresistance of about −55% is also observed near 𝑇 𝑁⁢1 . Moreover, the 𝐻−𝑇 phase diagram constructed using magnetization, heat capacity, and magnetotransport data indicates complex magnetic behavior in EuAg 4 Sb 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2024

Vortex-induced anomalies in the superconducting quantum interference patterns of topological insulator Josephson junctions

The superconducting quantum interference (SQI) patterns of Josephson junctions fabricated from hybrid structures that interface an s-wave superconductor with a topological insulator can be used to detect signatures of novel quasiparticle states. Here, we compare calculated and experimental SQI patterns obtained from hybrid junctions fabricated on cadmium arsenide, a two-dimensional topological insulator. The calculations account for the effects of Abrikosov (anti-) vortices in the superconducting contacts. They describe the experimentally observed deviations of the SQI from an ideal Fraunhofer pattern, including anomalous phase shifts, node lifting, even/odd modulations of the lobes, irregular lobe spacing, and an asymmetry in the positive/negative magnetic field. We also show that under a current bias, these vortices enter the electrodes even if there is no intentionally applied external magnetic field. The results show that Abrikosov vortices in the electrodes of the junctions can explain many of the observed anomalies in the SQI patterns of topological insulator Josephson junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Hybridization-driven strong anharmonicity in Yb-filled skutterudites

A high-pressure study of the structural and thermal transport properties is carried out on one of the most efficient filled skutterudites, $\mathrm{Yb_{0.3}Co_4Sb_{12}}$, to understand the relatively low thermal conductivity behavior in this family. By combining x-ray diffraction and Raman scattering measurements, we detect a phase transition at around 12.4 GPa. The mode Grüneisen parameters of the observed phonon modes are obtained from the determined bulk modulus and the phonon frequency shifts with pressure. The strong anharmonicity in this material is demonstrated by the obtained large average Grüneisen parameter. We also find the depressed group velocity within the low-frequency range, the flat guest mode avoided crossing with the acoustic-phonon mode, and the significant contribution of optical phonons. The hybridization of the guest atom and host lattice and the related enhanced anharmonicity are suggested to account for the low lattice thermal conductivity in the studied system. So, these findings provide new insight into how phonon-phonon interactions lower lattice thermal conductivity in this important thermoelectric family.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Higher-dimensional generalizations of Berry curvature

A family of finite-dimensional quantum systems with a nondegenerate ground state gives rise to a closed two-form on the parameter space, the curvature of the Berry connection. Its integral over a surface detects the presence of degeneracy points inside the volume enclosed by the surface. In this work, we seek generalizations of the Berry curvature to gapped many-body systems in $\textit{D}$ spatial dimensions which can detect gapless or degenerate points in the phase diagram of a system. Field theory predicts that in spatial dimension $\textit{D}$ the analog of the Berry curvature is a closed ($\textit{D}$ + 2) -form on the parameter space (the Wess-Zumino-Witten form). We construct such closed forms for arbitrary families of gapped interacting lattice systems in all dimensions. We show that whenever the integral of the Wess-Zumino-Witten form over a ($\textit{D}$ + 2)-dimensional surface in the parameter space is nonzero, there must be gapless edge modes for at least one value of the parameters. These edge modes arise even when the bulk system is in a trivial phase for all values of the parameters and are protected by the nontrivial topology of the phase diagram.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Spatial noise correlations in a Si/SiGe two-qubit device from Bell state coherences

Here, we study spatial noise correlations in a Si/SiGe two-qubit device with integrated micromagnets. Our method relies on the concept of decoherence-free subspaces, whereby we measure the coherence time for two different Bell states, designed to be sensitive only to either correlated or anticorrelated noise, respectively. From these measurements we find weak correlations in low-frequency noise acting on the two qubits, while no correlations could be detected in high-frequency noise. We expect nuclear spin noise to have an uncorrelated nature. A theoretical model and numerical simulations give further insight into the additive effect of multiple independent (anti)correlated noise sources with an asymmetric effect on the two qubits as can result from charge noise. Such a scenario in combination with nuclear spins is plausible given the data and the known decoherence mechanisms. This work is highly relevant for the design of optimized quantum error correction codes for spin qubits in quantum dot arrays, as well as for optimizing the design of future quantum dot arrays.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

The classical-to-quantum crossover in the strain-induced ferroelectric transition in SrTiO3 membranes

Mechanical strain presents an effective control over symmetry-breaking phase transitions. In quantum paralelectric SrTiO3, strain can induce ferroelectric order via modification of the local Ti potential energy landscape. However, brittle bulk materials can only withstand limited strain range (~0.1%). Taking advantage of nanoscopically-thin freestanding membranes, we demonstrate an in- situ strain-induced reversible ferroelectric transition in freestanding SrTiO3 membranes. We measure the ferroelectric order by detecting the local anisotropy of the Ti 3d orbital signature using x-ray linear dichroism at the Ti-K pre-edge, while the strain is determined by x-ray diffraction. With reduced thickness, the SrTiO3 membranes remain elastic with >1% tensile strain cycles. A robust displacive ferroelectricity appears beyond a temperature-dependent critical strain. Interestingly, we discover a crossover from a classical ferroelectric transition to a quantum regime at low temperatures, which enhances strain-induced ferroelectricity. Our results offer new opportunities to strain engineer functional properties in low dimensional quantum materials and provide new insights into the role of ferroelectric fluctuations in quantum paraelectric SrTiO3.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterizing the nonequilibrium response of FeRh thin films using time-domain thermoreflectance

Time-domain thermoreflectance (TDTR) characterization of FeRh throughout its first-order antiferromagnetic (AF) to ferromagnetic (FM) transition shows that the transient reflectance ΔR⁡(t)/R strongly depends on the magnetic order of the sample. Using TDTR, which uses optical pulses to induce small temperature excursions, we have found that Δ⁢R⁡(t)/R of the AF phase exhibits a large negative response, while the response of the FM phase is positive. This magnetic phase sensitivity has allowed us to study the transient response of both the AF and FM phases to the pump-pulse excitation and the mixed phase of the material. These results are significant since the ultrafast properties of antiferromagnetic materials and mixed antiferromagnetic and ferromagnetic materials are difficult to detect using other conventional techniques. We have found that the AF phase exhibits a strong subpicosecond decaying signal not observed in the FM phase. The magnetic phase dependence of the sign of Δ⁢R⁡(t)/R is qualitatively explained using the results of ab initio density functional theory calculations. Using the two-temperature model, we found that the change in the thermalization time across the transition is caused by differences in both the electronic heat capacity and the electron-phonon coupling factor of the AF and FM phases. The electron-phonon coupling constant in the AF phase is also determined using the two-temperature model conducted using the ntmpy code package. For the FM phase, we provide boundaries for the magnitude of the electron-phonon coupling factor for the FM phase. Finally, these results indicate that TDTR can be used to study the transient properties of magnetic materials that are otherwise challenging to probe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2024

Development and Testing of a Superconducting Ground Plane on Transition Edge Sensors

Much of the normal matter in the universe is thought to exist as diffuse hot gas near 1.0 × 10 6 K, which can be detected through its 0.1–0.5 keV line emission. Distinguishing among multiple temperature regions and emission mechanisms along a line of sight requires resolving individual spectral lines in this particularly crowded spectral range. This requires 1–2 eV spectral resolution, which is currently only possible using grating spectrometers, which are suitable only for point sources, but not for the diffuse sources we wish to observe. We aim to measure individual spectral lines in this energy band using transition edge sensors (TES) that have the required 1–2 eV non-dispersive spectral resolution on a sounding rocket. While TESs offer sufficient energy resolution, they are very sensitive to ambient magnetic fields, e.g. from earth’s field and stray fields from the adiabatic demagnetization refrigerator (ADR) that is used to cool TESs to their ∼70 mK transition temperature. Strict space and weight limitations on the sounding rocket payload will limit the use of conventional high permeability magnetic shielding. Further design challenges arise in designing shielding with at least a 45∘ field of view, which is required to maintain a large enough throughput to obtain a useful spectrum on a brief (∼300 s) sounding rocket flight. Here we explore adding a superconducting ground plane (SGP) to the backside of the TES to reduce its field sensitivity and minimize attenuation requirements for the external shielding, which is based on prior work from (de Wit et al. 2022). We tested the feasibility of SGPs with novel materials, geometries, and on larger TESs with different biasing conditions.

Astrophysics↗
DOE OSTI2024

3D Heisenberg universality in the van der Waals antiferromagnet NiPS 3

Van der Waals (vdW) magnetic materials are comprised of layers of atomically thin sheets, making them ideal platforms for studying magnetism at the two-dimensional (2D) limit. These materials are at the center of a host of novel types of experiments, however, there are notably few pathways to directly probe their magnetic structure. We confirm the magnetic order within a single crystal of NiPS 3 and show it can be accessed with resonant elastic X-ray diffraction along the edge of the vdW planes in a carefully grown crystal by detecting structurally forbidden resonant magnetic X-ray scattering. We find the magnetic order parameter has a critical exponent of β ~ 0.36, indicating that the magnetism of these vdW crystals is more adequately characterized by the three-dimensional (3D) Heisenberg universality class. We verify these findings with first-principles density functional theory, Monte-Carlo simulations, and density matrix renormalization group calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Application of the variational autoencoder to detect the critical points of the anisotropic Ising model

We generalize the previous study on the application of variational autoencoders to the two-dimensional Ising model to a system with anisotropy. Due to the self-duality property of the system, the critical points can be located exactly for the entire range of anisotropic coupling. This presents an excellent test bed for the validity of using a variational autoencoder to characterize an anisotropic classical model. Furthermore, we reproduce the phase diagram for a wide range of anisotropic couplings and temperatures via a variational autoencoder without the explicit construction of an order parameter. Considering that the partition function of ($d$ + 1)-dimensional anisotropic models can be mapped to that of the $d$-dimensional quantum spin models, the present study provides numerical evidence that a variational autoencoder can be applied to analyze quantum systems via the quantum Monte Carlo method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantum oscillations in the field-induced ferromagnetic state of MnBi 2-x Sb x Te 4

The intrinsic antiferromagnetic topological insulator MnBi2Te4 undergoes a metamagnetic transition in a c-axis magnetic field. It has been predicted that ferromagnetic MnBi2Te4 is an ideal Weyl semimetal with a single pair of Weyl nodes. Here we report measurements of quantum oscillations detected in the field-induced ferromagnetic phase of MnBi 2-x Sb x Te 4 , where Sb substitution tunes the majority carriers from electrons to holes. Single-frequency Shubnikov–de Haas oscillations were observed in a wide range of Sb concentrations (0.54≤x≤1.21). The evolution of the oscillation frequency and the effective mass shows reasonable agreement with the Weyl semimetal band structure of ferromagnetic MnBi 2 Te 4 predicted by density functional calculations. Intriguingly, the quantum oscillation frequency shows a strong temperature dependence, indicating that the electronic structure depends sensitively on magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Honeycomb-Lattice Mott Insulator on Tantalum Disulphide

Effects of electron many-body interactions amplify in an electronic system with a narrow bandwidth opening a way to exotic physics. A narrow band in a two-dimensional (2D) honeycomb lattice is particularly intriguing as combined with Dirac bands and topological properties but the material realization of a strongly interacting honeycomb lattice described by the Kane-Mele-Hubbard model has not been identified. Here we report a novel approach to realize a 2D honeycomb-lattice narrow-band system with strongly interacting 5$\textit{d}$ electrons. Iin this work, we engineer a well-known triangular lattice 2D Mott insulator 1$\textit{T}$ – TaS 2 into a honeycomb lattice utilizing an adsorbate superstructure. Potassium (K) adatoms at an optimum coverage deplete one-third of the unpaired $\textit{d}$ electrons and the remaining electrons form a honeycomb lattice with a very small hopping. Ab initio calculations show extremely narrow $Z_2$ topological bands mimicking the Kane-Mele model. Electron spectroscopy detects an order of magnitude bigger charge gap confirming the substantial electron correlation as confirmed by dynamical mean field theory. It could be the first artificial Mott insulator with a finite spin Chern number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Synthesis of Y1Ba2Cu3O(sub x) superconducting powders by intermediate phase reaction

One of the more striking problems for the synthesis of the Y1Ba2Cu3Ox compound is the high-temperature decomposition of the BaCO3. This compound is present as raw material or as an intermediate compound in chemical processes such as amorphous citrate, coprecipitation oxalate, sol-gel process, acetate pyrolisis, etc. This fact makes difficult the total formation reaction of the Y1Ba2Cu3Ox phase and leads to the presence of undesirable phases such as the BaCuO2 phase, the 'green phase', Y2BaCuO5 and others. Here, a new procedure to overcome this difficulty is studied. The barium cation is previously combined with yttrium and/or copper to form intermediate compounds which can react between them to give Y1Ba2Cu3Ox. BaY2O4 and BaCu2O3 react according to the equation BaY2O4+3BaCu2O3 yields 2Y1Ba2Cu3Ox. BaY2O4 is a stable compound of the Y2O3-BaO system; BaCu2O3 is an intimate mixture of BaCuO2 and uncombined CuO. The reaction kinetics of these phases have been established between 860 and 920 C. The phase evolution has been determined. The crystal structure of the Y1Ba2Cu3Ox obtained powder was studied. According to the results obtained from the kinetics study the Y1Ba2Cu3Ox the synthesis was performed at temperatures of 910 to 920 C for short treatment times (1 to 2 hours). Pure Y1Ba2Cu3Ox was prepared, which develops orthorombic type I structure despite of the cooling cycle. Superconducting transition took place at 91 K. The sintering behavior and the superconducting properties of sintered samples were studied. Density, microstructure and electrical conductivity were measured. Sintering densities higher than 95 percent D(sub th) were attained at temperatures below 940 C. Relatively fine grained microstructure was observed, and little or no-liquid phase was detected.

Moore, C.↗
DOE OSTI2022

Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe

For this study, the B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and 59 Co nuclear magnetic resonance (NMR). We observed a phase transition at T Q = 13.7 K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin (T 2 –1 ) and spin-lattice ( T 1 – 1 ) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent of temperature down to low temperatures as anticipated in a paramagnetic metal indicates that the T Q transition is of nonmagnetic origin. In addition, we detected a crossover scale T 0 ~ 30 K below which the resistivity and the NMR linewidth increase, and T 1 –1 is progressively distributed in space, that is, a static and dynamical spatial inhomogeneity develops. While the order parameter for the T Q transition remains an open question, a group-theoretical analysis suggests that the finite electric quadrupole density arising from the low local site symmetry at cobalt sites could drive the crystal symmetry lowering from the P2 1 3 symmetry that is commensurate to the R3 symmetry with an incommensurate wave vector, which fairly well accounts for the T Q transition. The quadrupole-order-driven commensurate-incommensurate phase transition may be another remarkable phenomenon arising from the structural chirality inherent in the noncentrosymmetric B20 family.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Electrical detection of magnon-photon interactions via an auxiliary spin-wave mode

We report on the electrical detection of a hybrid magnon-photon system which comprises a magnetic sample coupled to a planar cavity. While the uniform Kittel mode has the largest coupling strength among all the magnon modes, it generates only a modest voltage signal by means of the inverse spin-Hall effect. We have found that the generated voltage can be significantly enhanced by introducing a higher-order magnon mode, which possesses a much higher spin pumping efficiency, and furthermore, it is nearly degenerated with the Kittel mode. In this work, the experimental results can be explained by our theoretical model and suggest that the use of an auxiliary magnon mode can realize the configuration of a magnon-photon system with both strong coupling and large spin current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Vacancy-tuned magnetism in LaMn x Sb 2

The layered AMP 2 (A = alkali-earth or rare-earth atom, M = transition metal, P = Sb, Bi) compounds are widely studied for their rich magnetism and electronic structure topology. We provide a detailed characterization of the magnetic and transport properties of LaMn x Sb 2 , an understudied member of the AMP 2 family. LaMn x Sb 2 forms with intrinsic Mn vacancies, and we demonstrate that by varying the starting ratio of La, Mn, and Sb, we can synthetically control the Mn occupancy and produce single crystals with x = 0.74 – 0.97. Magnetization and transport measurements indicate LaMn x Sb 2 has a rich temperature-composition (T–x) magnetic phase diagram with physical properties strongly influenced by the Mn occupancy. LaMn x Sb 2 orders antiferromagnetically at T 1 = 130–180 K, where T 1 increases with x. Below T 1 , the T–x phase diagram is complicated. At high x, there is a second transition T 2 that decreases in temperature as x is lowered, vanishing below x ≤ 0.85. A third, first-order, transition T 3 is detected at x ≈ 0.92, and the transition temperature increases as x is lowered, crossing above T 2 near x ≈ 0.9. On moving below x < 0.79, here we find the crystal structure changes from the P 4/nmm arrangement to an I$\bar{4}$2m structure with partially ordered Mn vacancies. The change in crystal structure results in the sudden appearance of two new low-temperature phases and a crossover between regimes of negative and positive magnetoresistance when x ≤ 0.78. Finally, we provide powder neutron diffraction for x = 0.93, and find that the high-x compositions first adopt a G-type antiferromagnetic structure with the Mn moments aligned within the ab plane, which is followed upon further cooling by a second transition to a different, noncollinear structure where the moments are rotated within the basal plane. Our results demonstrate that LaMn x Sb 2 is a highly tunable material with six unique magnetically ordered phases, depending on T and x.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Manipulation of the van der Waals Magnet Cr 2 Ge 2 Te 6 by Spin–Orbit Torques

In this work, we report measurements of current-induced thermoelectric and spin-orbit torque effects within devices in which multilayers of the semiconducting 2-dimensional van der Waals magnet Cr 2 Ge 2 Te 6 (CGT) are integrated with Pt and Ta metal overlayers. We show that the magnetic orientation of the CGT can be detected accurately either electrically (using an anomalous Hall effect) or optically (using magnetic circular dichroism) with good consistency. The samples exhibit large thermoelectric effects, but nevertheless the spin-orbit torque can be measured quantitatively using the angle-dependent second harmonic Hall technique. For CGT/Pt we measure the spin-orbit torque efficiency to be similar to conventional metallic-ferromagnet/Pt devices with the same Pt resistivity. The interfacial transparency for spin currents is therefore similar in both classes of devices. Our results demonstrate the promise of incorporating semiconducting 2D magnets within spin-orbitronic and magneto-thermal devices.

2D magnets↗
DOE OSTI2025

Cluster-Graph Fingerprinting: A Framework for Quantitative Analysis of Machine-Learned Interatomic Model Training and Simulation Data

Machine-learned interatomic models represent a significant advancement in simulation methods, extending the predictive ability of first-principles methods to previously inaccessible length and time scales. However, the data-driven nature of these models can lead to difficult-to-detect errors that can compromise prediction accuracy. To address this challenge, we introduce a novel fingerprinting approach based on the Chebyshev Interaction Model for Efficient Simulation (ChIMES) ML-IAM graph-based descriptor. Our strategy enables efficient and statistically rigorous analysis of system configurations used in ML-IAM training and those generated by their application, e.g., in molecular dynamics simulations. We demonstrate that these fingerprints can effectively assess novelty of a configuration relative to an existing data set and determine dissimilarity among individual configurations, which are two key tasks in workflows for active learning-based ML-IAM training, data set curation, and on-the-fly uncertainty quantification.

36 MATERIALS SCIENCE↗