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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Relativistic spin hydrodynamics with torsion and linear response theory for spin relaxation

Using the second law of local thermodynamics and the first-order Palatini formalism, we formulate relativistic spin hydrodynamics for quantum field theories with Dirac fermions, such as QED and QCD, in a torsionful curved background. We work in a regime where spin density, which is assumed to relax much slower than other non-hydrodynamic modes, is treated as an independent degree of freedom in an extended hydrodynamic description. Spin hydrodynamics in our approach contains only three non-hydrodynamic modes corresponding to a spin vector, whose relaxation time is controlled by a new transport coefficient: the rotational viscosity. We study linear response theory and observe an interesting mode mixing phenomenon between the transverse shear and the spin density modes. We propose several field-theoretical ways to compute the spin relaxation time and the rotational viscosity, via the Green-Kubo formula based on retarded correlation functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi 2 Te 4

Magnetism in topological materials creates phases exhibiting quantized transport phenomena with potential technological applications. The emergence of such phases relies on strong interaction between localized spins and the topological bands, and the consequent formation of an exchange gap. However, this remains experimentally unquantified in intrinsic magnetic topological materials. Here, this interaction is quantified in MnBi 2 Te 4 , a topological insulator with intrinsic antiferromagnetism. This is achieved by optically exciting Bi-Te p states comprising the bulk topological bands and interrogating the consequent Mn 3d spin dynamics, using a multimodal ultrafast approach. Ultrafast electron scattering and magneto-optic measurements show that the p states demagnetize via electron-phonon scattering at picosecond timescales. Despite being energetically decoupled from the optical excitation, the Mn 3d spins, probed by resonant X-ray scattering, are observed to disorder concurrently with the p spins. Together with atomistic simulations, this reveals that the exchange coupling between localized spins and the topological bands is at least 100 times larger than the superexchange interaction, implying an optimal exchange gap of at least 25 meV in the surface states. Here, by quantifying this exchange coupling, this study validates the materials-by-design strategy of utilizing localized magnetic order to manipulate topological phases, spanning static to ultrafast timescales.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-throughput screening of 2D materials identifies p-type monolayer WS2 as potential ultra-high mobility semiconductor

Abstract 2D semiconductors offer a promising pathway to replace silicon in next-generation electronics. Among their many advantages, 2D materials possess atomically-sharp surfaces and enable scaling the channel thickness down to the monolayer limit. However, these materials exhibit comparatively lower charge carrier mobility and higher contact resistance than 3D semiconductors, making it challenging to realize high-performance devices at scale. In this work, we search for high-mobility 2D materials by combining a high-throughput screening strategy with state-of-the-art calculations based on the ab initio Boltzmann transport equation. Our analysis singles out a known transition metal dichalcogenide, monolayer WS 2 , as the most promising 2D semiconductor, with the potential to reach ultra-high room-temperature hole mobilities in excess of 1300 cm 2 /Vs should Ohmic contacts and low defect densities be achieved. Our work also highlights the importance of performing full-blown ab initio transport calculations to achieve predictive accuracy, including spin–orbital couplings, quasiparticle corrections, dipole and quadrupole long-range electron–phonon interactions, as well as scattering by point defects and extended defects.

Chemistry↗
DOE OSTI2024

Inkjet-printed SnO x as an effective electron transport layer for planar perovskite solar cells and the effect of Cu doping

Inkjet printing is a more sustainable and scalable fabrication method than spin coating for producing perovskite solar cells (PSCs). Although spin-coated SnO 2 has been intensively studied as an effective electron transport layer (ETL) for PSCs, inkjet-printed SnO 2 ETLs have not been widely reported. Here, we fabricated inkjet-printed, solution-processed SnO x ETLs for planar PSCs. A champion efficiency of 17.55% was achieved for the cell using a low-temperature processed SnO x ETL. The low-temperature SnO x exhibited an amorphous structure and outperformed high-temperature crystalline SnO 2 . The improved performance was attributed to enhanced charge extraction and transport and suppressed charge recombination at ETL/perovskite interfaces, which originated from enhanced electrical and optical properties of SnO x , improved perovskite film quality, and well-matched energy level alignment between the SnO x ETL and the perovskite layer. Furthermore, SnO x was doped with Cu. Cu doping increased surface oxygen defects and upshifted energy levels of SnO x , leading to reduced device performance. A tunable hysteresis was observed for PSCs with Cu-doped SnO x ETLs, decreasing at first and turning into inverted hysteresis afterwards with increasing Cu doping level. This tunable hysteresis was related to the interplay between charge/ion accumulation and recombination at ETL/perovskite interfaces in the case of electron extraction barriers.

14 SOLAR ENERGY↗
DOE OSTI2025

Significance of the structural configuration of B2 disorder in Co and Ti based Heusler alloys

We investigate here structural (at local and global levels) and transport properties for 𝑋 2 ⁢MnAl (𝑋= Co and Ti). Additionally, the magnetic properties were also studied for Ti 2 ⁢MnAl. Our x-ray diffraction results show that both the compounds stabilize in B2 disordered phase with cubic structure of 𝑃⁢𝑚⁢$\overline{3}$⁢𝑚 space group. Further, the structural configuration of the above disordered phase for both the compounds was identified using combined studies of x-ray absorption spectroscopy and multiple scattering calculations at the transition metal 𝐾 edges. Upon such identification, in the case of Co 2 ⁢Mn 1−𝑦⁢ Cr 𝑦 ⁢Al (𝑦= 0, 0.05, 0.1, 0.2) with change in 𝑦, we are able to establish a better connection quantitatively between the inverse of Mn-Co bonds and peak in the temperature-dependent resistivity. This highlights the crucial importance of a detailed understanding of the nature of B2 disorder. In the case of 𝑦=0, in the temperature range of study, the resistivity is driven by the functional form associated with (a) three-dimensional enhanced electron-electron Coulomb interaction scattering mechanism and (b) an unconventional one-magnon process. For Ti 2 ⁢MnAl, the transport shows metallic glasslike behavior at high temperature, while at low temperature it follows both the Cote-Meisel's model and quantum correction model. In this compound, the magnetic studies suggest the formation of superparamagnetic clusters in the paramagnetic matrix at low temperatures. Our density functional theory results are in line with the transport and magnetic properties. In literature, the spin polarization percentage (𝑃) for 𝑋= Co in B2 disordered phase is 76%. However, the present results emphasize the fact that in B2 disordered phase, the value of 𝑃 can range from 90% to 71% depending on the structural configuration introduced by swapping of the atomic positions of Mn and Al. For the compound under study, the value of percentage spin polarization obtained ranges between 82% to 85%. In addition, we also identify the origin of the difference in the shape of the Mn 3⁢𝑑 density of states for both the alloys. In conclusion, our results for 𝑋= Co alloy highlights the importance of identifying the specific structural configuration associated with a particular disorder category especially in the estimation of 𝑇 𝑐 and 𝑃 and for 𝑋= Ti, the physical properties can be tuned by varying the position of 𝐸 𝐹 and thereby its utilization in device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Low-energy muon and muonium beam source at Fermilab

We describe a high-efficiency source of muonium that can be transported as a beam in vacuum provides opportunities for fundamental muon and precision physics measurements such as sensitive searches for symmetry violation. Although PSI is currently the world leader, the intense 800-MeV PIP-II linac beam at Fermilab could provide world-class low-energy muon and muonium beams, with unparalleled intensity, driving the next generation of precision muon-based physics experiments at the intensity frontier. However, it is critical to initiate the prerequisite R&D now to prepare for the PIP-II era. A low-energy secondary muon line recently installed in an operating facility (the MeV Test Area, which utilizes the intense 400-MeV Fermilab Linac beam) could support the required R&D, and potentially compete for new physics in the immediate term, if approved. This beamline was developed for μ– and will need to be re-optimized for surface μ+ production and transport, making it also suitable for muon spin rotation physics––a unique research and industrial application for which no U.S. facility exists, and whose facilities are oversubscribed worldwide.

43 PARTICLE ACCELERATORS↗
NASA NTRS2007

Ocean-Atmosphere Interaction Over Agulhas Extension Meanders

Many years of high-resolution measurements by a number of space-based sensors and from Lagrangian drifters became available recently and are used to examine the persistent atmospheric imprints of the semi-permanent meanders of the Agulhas Extension Current (AEC), where strong surface current and temperature gradients are found. The sea surface temperature (SST) measured by the Advanced Microwave Scanning Radiometer-Earth Observing System (AMSR-E) and the chlorophyll concentration measured by the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) support the identification of the meanders and related ocean circulation by the drifters. The collocation of high and low magnitudes of equivalent neutral wind (ENW) measured by Quick Scatterometer (QuikSCAT), which is uniquely related to surface stress by definition, illustrates not only the stability dependence of turbulent mixing but also the unique stress measuring capability of the scatterometer. The observed rotation of ENW in opposition to the rotation of the surface current clearly demonstrates that the scatterometer measures stress rather than winds. The clear differences between the distributions of wind and stress and the possible inadequacy of turbulent parameterization affirm the need of surface stress vector measurements, which were not available before the scatterometers. The opposite sign of the stress vorticity to current vorticity implies that the atmosphere spins down the current rotation through momentum transport. Coincident high SST and ENW over the southern extension of the meander enhance evaporation and latent heat flux, which cools the ocean. The atmosphere is found to provide negative feedback to ocean current and temperature gradients. Distribution of ENW convergence implies ascending motion on the downwind side of local SST maxima and descending air on the upwind side and acceleration of surface wind stress over warm water (deceleration over cool water); the convection may escalate the contrast of ENW over warm and cool water set up by the dependence of turbulent mixing on stability; this relation exerts a positive feedback to the ENW-SST relation. The temperature sounding measured by the Atmospheric Infrared Sounder(AIRS) is consistent with the spatial coherence between the cloud-top temperature provided by the International Satellite Cloud Climatology Project (ISCCP) and SST. Thus ocean mesoscale SST anomalies associated with the persistent meanders may have a long-term effect well above the midlatitude atmospheric boundary layer, an observation not addressed in the past.

Atmospheric Infrared Sounder (AIRS)↗
DOE OSTI2020

Low-energy magnons in the chiral ferrimagnet Cu 2 OSeO 3 : A coarse-grained approach

We report a comprehensive neutron scattering study of low energy magnetic excitations in the breathing pyrochlore helimagnetic Cu2OSeO3. Fully documenting the four lowest energy magnetic modes that leave the ferrimagnetic configuration of the “strong tetrahedra” intact (| ℏ ω| < 13 meV), we find gapless quadratic dispersion at the Γ point for energies above 0.2 meV, two doublets separated by 1.6(2) meV at the R point, and a bounded continuum at the X point. Our constrained rigid spin cluster model relates these features to Dzyaloshinskii-Moriya (DM) interactions and the incommensurate helical ground state. Combining conventional spin wave theory with a spin cluster form factor accurately reproduces the measured equal time structure factor through multiple Brillouin zones. An effective spin Hamiltonian describing complex anisotropic intercluster interactions is obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Scattering solution of an interacting Hamiltonian for the electronic control of molecular spin qubits

We theoretically study how a scattered electron can entangle molecular spin qubits (MSQs). This requires solving the inelastic transport of a single electron through a scattering region described by a tight-binding interacting Hamiltonian. We accomplish this using a Green's-function solution. We can model realistic physical implementations of MSQs by parametrizing the tight-binding Hamiltonian with first-principles descriptions of magnetic anisotropy and exchange interactions. As a result, we find that, for two-MSQ systems with inversion symmetry, projective measurement of the spin degree of freedom of the scattered electron offers probabilistic control of the degree of entanglement between the MSQs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Magnetic field-induced non-trivial electronic topology in Fe3− x GeTe2

The anomalous Hall, Nernst, and thermal Hall coefficients of the itinerant ferromagnet Fe3−xGeTe2 display anomalies upon cooling that are consistent with a topological transition that could induce deviations with respect to the Wiedemann–Franz (WF) law. This law has not yet been validated for the anomalous transport variables, with recent experimental studies yielding material-dependent results. Nevertheless, the anomalous Hall and thermal Hall coefficients of Fe3−xGeTe2 are found, within our experimental accuracy, to satisfy the WF law for magnetic fields μ0H applied along its c axis. Remarkably, large anomalous transport is also observed for μ0H||a axis with the field aligned along the gradient of the chemical potential generated by thermal gradients or electrical currents, a configuration that should not lead to their observation. These anomalous planar quantities are found to not scale with the component of the planar magnetization (M||), showing instead a sharp decrease beyond μ0H||= 4 T or the field required to align the magnetic moments along μ0H||. We argue that chiral spin structures associated with Bloch domain walls lead to a field-dependent spin chirality that produces a novel type of topological transport in the absence of interaction between the magnetic field and electrical or thermal currents. Locally chiral spin structures are captured by our Monte Carlo simulations incorporating small Dzyaloshinskii–Moriya and biquadratic exchange interactions. These observations reveal not only a new way to detect and expose topological excitations, but also a new configuration for heat conversion that expands the current technological horizon for thermoelectric energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Biasing topological charge injection in topological matter

Here we explore the interplay between topologies in the momentum and real spaces to formulate a thermodynamic description of nonequilibrium injection of topological charges under external bias. We show that the edge modes engendered by the momentum-space topology can play a functional role of connecting the external reservoirs to the bulk transport of topological charges in the real space. We illustrate our general results with two examples: the spin-torque injection of skyrmions in an electrically biased integer quantum Hall system, and the vortex injection in a topological $p + ip$ superconductor coupled to heat reservoirs. Based on the universal fractional entropy of the Majorana zero modes bound to the vortices, their controllable injection proposed in this work could provide a route for creating and manipulating Majorana fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Altermagnetic behavior in OsO 2 : Parallels with RuO 2

We investigate and compare the electronic structure of OsO 2 with the extensively studied RuO 2 . Calculations show that OsO 2 exhibits antiferromagnetism and spin splitting driven by crystal symmetry, a characteristic of altermagnetism and similar to RuO 2 . Examination of the Fermi surface, with and without spin-orbit coupling, reveals that OsO 2 has lower Fermi group velocities compared to RuO 2 , suggesting limited charge carrier mobility in OsO 2 . While this characteristic may constrain its performance in high-speed electronic transport applications, it may also enhance stability for spin-based information storage in spintronics. Additionally, comparison of the vibrational properties of these rutile oxide systems demonstrates dynamical stability, typical mass dependent behaviors, and favorable agreement with measured Raman data. The calculated phonon density of states for RuO 2 also agrees with our neutron scattering data. These observations substantiate the implications of the electronic and vibrational behaviors in OsO 2 and RuO 2 , encouraging further investigation of their potential for emerging technological applications.

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↗
DOE OSTI2022

Low-temperature nanoscale heat transport in a gadolinium iron garnet heterostructure probed by ultrafast x-ray diffraction

Time-resolved x-ray diffraction has been used to measure the low-temperature thermal transport properties of a Pt/Gd3Fe5O12//Gd3Ga5O12 metal/oxide heterostructure relevant to applications in spin caloritronics. A pulsed femtosecond optical signal produces a rapid temperature rise in the Pt layer, followed by heat transport into the Gd3Fe5O12 (GdIG) thin film and the Gd3Ga5O12 (GGG) substrate. The time dependence of x-ray diffraction from the GdIG layer was tracked using an accelerator-based femtosecond x-ray source. The ultrafast diffraction measurements probed the intensity of the GdIG (1 −1 2) x-ray reflection in a grazing-incidence x-ray diffraction geometry. The comparison of the variation of the diffracted x-ray intensity with a model including heat transport and the temperature dependence of the GdIG lattice parameter allows the thermal conductance of the Pt/GdIG and GdIG//GGG interfaces to be determined. Complementary synchrotron x-ray diffraction studies of the low-temperature thermal expansion properties of the GdIG layer provide a precise calibration of the temperature dependence of the GdIG lattice parameter. The interfacial thermal conductance of the Pt/GdIG and GdIG//GGG interfaces determined from the time-resolved diffraction study is of the same order of magnitude as previous reports for metal/oxide and epitaxial dielectric interfaces. The thermal parameters of the Pt/GdIG//GGG heterostructure will aid in the design and implementation of thermal transport devices and nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Light-wave control of correlated materials using quantum magnetism during time-periodic modulation of coherent transport

Light–wave quantum electronics utilizes the oscillating carrier wave to control electronic properties with intense laser pulses. Without direct light–spin interactions, however, magnetic properties can only be indirectly affected by the light electric field, mostly at later times. A grand challenge is how to establish a universal principle for quantum control of charge and spin fluctuations, which can allow for faster-than-THz clock rates. Using quantum kinetic equations for the density matrix describing non–equilibrium states of Hubbard quasiparticles, here we show that time–periodic modulation of electronic hopping during few cycles of carrier–wave oscillations can dynamically steer an antiferromagnetic insulating state into a metalic state with transient magnetization. While nonlinearities associated with quasi-stationary Floquet states have been achieved before, magneto–electronics based on quasiparticle acceleration by time–periodic multi–cycle fields and quantum femtosecond/attosecond magnetism via strongly–coupled charge–spin quantum excitations represents an alternative way of controlling magnetic moments in sync with quantum transport.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Optically pumped spin polarization as a probe of many-body thermalization

Disorder and many body interactions are known to impact transport and thermalization in competing ways, with the dominance of one or the other giving rise to fundamentally different dynamical phases. Here we investigate the spin diffusion dynamics of 13 C in diamond, which we dynamically polarize at room temperature via optical spin pumping of engineered color centers. We focus on low-abundance, strongly hyperfine-coupled nuclei, whose role in the polarization transport we expose through the integrated impact of variable radio-frequency excitation on the observable bulk 13 C magnetic resonance signal. Unexpectedly, we find good thermal contact throughout the nuclear spin bath, virtually independent of the hyperfine coupling strength, which we attribute to effective carbon-carbon interactions mediated by the electronic spin ensemble. In particular, observations across the full range of hyperfine couplings indicate the nuclear spin diffusion constant takes values up to two orders of magnitude greater than that expected from homo-nuclear spin couplings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Strongly Surface State Carrier‐Dependent Spin–Orbit Torque in Magnetic Topological Insulators

Abstract The topological surface states (TSS) in topological insulators (TIs) can exert strong spin–orbit torque (SOT) on adjacent magnetization, offering great potential in implementing energy‐efficient magnetic memory devices. However, there are large discrepancies among the reported spin Hall angle values in TIs, and its temperature dependence still remains elusive. Here, the spin Hall angle in a modulation‐doped Cr‐Bi x Sb 2− x Te 3 (Cr‐BST) film is quantitatively determined via both transport and optic approaches, where consistent results are obtained. A large spin Hall angle of ≈90 in the modulation‐doped Cr‐BST film is demonstrated at 2.5 K, and the spin Hall angle drastically decreases to 0.3–0.5 as the temperature increases. Moreover, by tuning the top TSS carrier concentration, a competition between the top and bottom TSS in contributing to SOT is observed. The above phenomena can account for the large discrepancies among the previously reported spin Hall angle values and reveal the unique role of TSS in generating SOT.

Che, Xiaoyu↗
DOE OSTI2025

Modeling strain and quantum confinement in GaAs/Ga x In 1−x P superlattices for spin-polarized electron sources

In this study, we systematically design and simulate a series of GaAs-based superlattice configurations aimed at enhancing heavy-hole–light-hole band splitting while simultaneously optimizing band alignment to reduce the conduction band barrier, thereby facilitating efficient electron transport. These combined effects are crucial for achieving high electron spin polarization and high quantum efficiency, the two key performance metrics of next-generation spin-polarized electron sources. We investigated three types of superlattice architectures: (1) compressively strained GaAs wells on GaInP barriers, yielding a maximum band splitting of 140 meV, (2) lattice-matched GaAs/GaInP structures, resulting in the maximum band splitting of 75 meV, and (3) tensile strained GaAs wells on GaInP barriers, with a maximum band splitting of 40 meV. The results demonstrate the tunability of heavy-hole–light-hole band splitting and establish a design framework for high-performance spin-polarized photocathodes based on a combination of strain engineering, quantum confinement, and optimized heterostructure design.

Electron sources↗