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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Finite field regime for a quantum spin liquid in α – RuCl 3

An external magnetic field can cause a transition in α – RuCl 3 from an ordered zigzag state to a disordered state that is possibly related to the Kitaev quantum spin liquid. Here, we present field-dependent inelastic neutron scattering and magnetocaloric effect measurements implying the existence of an additional transition out of the quantum spin-liquid phase at an upper field limit B u . The neutron scattering reveals three distinct regimes of magnetic response. In the low-field ordered state the response shows magnon peaks; the intermediate-field regime shows only continuum scattering, and above B u the response shows sharp magnon peaks at the lower bound of a strong continuum. Measurable dispersion of magnon modes along the (0,0,L) direction implies non-negligible interplane interactions. Combining the magnetocaloric effect measurements with other data, a T–B phase diagram is constructed. The results constrain the range where one might expect to observe quantum spin-liquid behavior in α – RuCl 3 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Local imaging of diamagnetism in proximity-coupled niobium nanoisland arrays on gold thin films.

In this work, we study the effect of engineered disorder on the local magnetic response of proximity-coupled superconducting island arrays by comparing scanning superconducting quantum interference device (SQUID) susceptibility measurements to a model in which we treat the system as a network of one-dimensional (1D) superconductor-normal-metal-superconductor Josephson junctions, each with a Josephson coupling energy E-J determined by the junction length or distance between islands. We find that the disordered arrays exhibit a spatially inhomogeneous diamagnetic response which, for low local applied magnetic fields, is well described by this junction network model, and we discuss these results as they relate to inhomogeneous 2D superconductors. Our model of the static magnetic response of the arrays does not fully capture the onset of nonlinearity and dissipation with increasing applied field, as these effects are associated with vortex motion due to the dynamic nature of the scanning SQUID susceptometry measurement. This work demonstrates a model 2D superconducting system with engineered disorder, and it highlights the impact of dissipation on the local magnetic properties of 2D superconductors and Josephson junction arrays.

Bishop-Van Horn, Logan↗
DOE OSTI2023

Improved quasiparticle self-consistent electronic band structure and excitons in β – LiGaO 2

The band structure of β–LiGaO 2 is calculated using the quasiparticle self-consistent QSGWˆ method where the screened Coulomb interaction Wˆ is evaluated including electron-hole interaction ladder diagrams and G is the one-electron Green's function. Improved convergence compared to previous calculations leads to a significantly larger band gap of about 7.0 eV. However, exciton binding energies are found to be large and lead to an exciton gap of about 6.0 eV if also a zero-point-motion correction of about –0.4 eV is included. Furthermore, these results are in excellent agreement with recent experimental results on the onset of absorption. Besides the excitons observed thus far, the calculations indicate the existence of a Rydberg-like series of exciton excited states, which is however modified from the classical Wannier exciton model by the anisotropies of the material and the more complex mixing of Bloch states in the excitons resulting from the Bethe-Salpeter equation. The exciton fine structure and the exciton wave functions are visualized and analyzed in various ways.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Vortex dynamics induced by scanning SQUID susceptometry

In this work, we measured the local magnetic response of a niobium thin film by applying a millitesla-scale AC magnetic field using a micron-scale field coil and detecting the response with a micron-scale pickup loop in a scanning superconducting quantum interference device (SQUID) susceptometry measurement. Near the film's critical temperature, we observed a steplike nonlinear and dissipative magnetic response due to the dynamics of a small number of vortex-antivortex pairs induced in the film by the local applied AC field. We modeled the dynamics of the measurement using a combined two-dimensional London-Maxwell and time-dependent Ginzburg-Landau approach, allowing us to construct a detailed real-space picture of the vortex motion causing the observed dissipative response. This work pushes scanning SQUID susceptometry of two-dimensional superconductors beyond the regime of linear response and lays the foundation for microscopic studies of vortex dynamics and pinning in superconducting devices and more exotic materials systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Magnetotropic susceptibility

The magnetotropic susceptibility is the thermodynamic coefficient associated with the rotational anisotropy of the free energy in an external magnetic field and is closely related to the magnetic susceptibility. It emerges naturally in frequency-shift measurements of oscillating mechanical cantilevers, which are becoming an increasingly important tool in the quantitative study of the thermodynamics of modern condensed-matter systems. Here, in this work, we discuss the basic properties of the magnetotropic susceptibility as they relate to the experimental aspects of frequency-shift measurements, as well as to the interpretation of those experiments in terms of the intrinsic properties of the system under study.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Experimental evidence for nonspherical magnetic form factor in Ru 3 +

The Mott insulator ..alpha..-RuCl3 has generated great interest in the community due to its possible field-induced Kitaev quantum spin liquid state. Despite enormous effort spent trying to obtain the form of the low-energy Hamiltonian, there is currently no agreed upon set of parameters which is able to explain all of the data. A key piece of missing information lies in the determination of the magnetic form factor of Ru3+, particularly for a true quantitative treatment of inelastic neutron scattering data. Here we present the experimentally derived magnetic form factor of Ru3+ in the low spin 4d5 state using polarized neutron diffraction within the paramagnetic regime on high-quality single crystals of ..alpha..-RuCl3. We observe strong evidence of an anisotropic form factor, expected of the spin-orbit coupled jeff=12 ground state. We model the static magnetization density in increasing complexity from simple isotropic cases, to a multipolar expansion, and, finally, ab initio calculations of the generalized jeff=12 ground state. Comparison of both single ion models and inclusion of Cl- anions support the presence of hybridization of Ru3+ with the surrounding Cl- ligands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Sr 2 Ir 1 - x Rh x O 4 ( x < 0.5 ) : An inhomogeneous j eff = 1 2 Hubbard system

In a combined experimental and theoretical study, we investigate the properties of Sr 2 Ir 1 - x Rh x O 4 . From the branching ratios of the L -edge isotropic x-ray absorption spectra, we determine that the spin-orbit coupling is remarkably independent of x for both iridium and rhodium sites. DFT + U calculations show that the doping is close to isoelectronic and introduces impurity bands of predominantly rhodium character close to the lower Hubbard band. Overlap of these two bands leads to metallic behavior. Since the low-energy states for x < 0.5 have predominantly j eff = 1 /2 character, we suggest that the electronic properties of this material can be described by an inhomogeneous Hubbard model, where the on-site energies change due to local variations in the spin-orbit interaction strength combined with additional changes in binding energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Mott localization in a pure stripe antiferromagnet Rb 1 - δ Fe 1.5 - σ S 2

A combination of neutron diffraction and angle-resolved photoemission spectroscopy measurements on a pure antiferromagnetic stripe ${\mathrm{Rb}}_{1{-}{\delta}}{\mathrm{Fe}}_{1.5{-}{\sigma}}{\mathrm{S}}_{2}$ is reported here. A neutron diffraction experiment on a powder sample shows that a $98$% volume fraction of the sample is in the antiferromagnetic stripe phase with rhombic iron vacancy order and a refined composition of ${\mathrm{Rb}}_{0.66}{\mathrm{Fe}}_{1.36}{\mathrm{S}}_{2}$, and that only $2$% of the sample is in the block antiferromagnetic phase with $\sqrt{5}\times{}\sqrt{5}$ iron vacancy order. Furthermore, a neutron diffraction experiment on a single crystal shows that there is only a single phase with the stripe antiferromagnetic order with the refined composition of ${\mathrm{Rb}}_{0.78}{\mathrm{Fe}}_{1.35}{\mathrm{S}}_{2}$, while the phase with block antiferromagnetic order is absent. Angle-resolved photoemission spectroscopy measurements on the same crystal with the pure stripe phase reveal that the electronic structure is gapped at the Fermi level with a gap larger than 0.325 eV. The data collectively demonstrate that the extra $10$% iron vacancies in addition to the rhombic iron vacancy order effectively impede the formation of the block antiferromagnetic phase; the data also suggest that the stripe antiferromagnetic phase with rhombic iron vacancy order is a Mott insulator.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Magnetic field stabilized electron-hole liquid in indirect-band-gap A l x G a 1 - x As

An electron-hole liquid (EHL), a condensed liquidlike phase of free electrons and holes in a semiconductor, presents a unique system for exploring quantum many-body phenomena. And while the behavior of EHLs is generally understood, less attention has been devoted to systematically varying the onset of their formation and resulting properties. Here, we report on an experimental approach to tune the conditions of formation and characteristics using a combination of low excitation densities and high magnetic fields up to 90 T. Demonstration of this approach was carried out in indirect-band-gap A l 0.387 G a 0.613 As . EHL droplets can be nucleated from one of two multiexciton complex states depending on the applied excitation density. Furthermore, the excitation density influences the carrier density of the EHL at high magnetic fields, where filling of successive Landau levels can be controlled. The ability to manipulate the formation pathway, temperature, and carrier density of the EHL phase under otherwise fixed experimental conditions makes our approach a powerful tool for studying condensed carrier phases in further detail.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Photoinduced ultrafast charge-order melting: Charge-order inversion and nonthermal effects

The effect of photoexcitation is studied for a system with checkerboard charge order induced by displacements of ligands around a metal site. The motion of the ligands is treated classically and the electronic charges are simplified to two-level molecular bond charges. The calculations are done for a checkerboard charge-ordered system with about 100 000 ligand oscillators coupled to a fixed-temperature bath. The initial photoexcitation is followed by a rapid decrease in the charge-order parameter within 50–100 femtoseconds while leaving the correlation length almost unchanged. Depending on the fluence, a complete melting of the charge order occurs in less than a picosecond. While for low fluences, the system returns to its original state, for full melting, it recovers to its broken-symmetry state leading to an inversion of the charge order. For small long-range interactions, recovery can be slow due to domain formation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Ultrafast terahertz-field-driven ionic response in ferroelectric BaTiO 3

The dynamical processes associated with electric field manipulation of the polarization in a ferroelectric remain largely unknown but fundamentally determine the speed and functionality of ferroelectric materials and devices. Here in this paper we apply subpicosecond duration, single-cycle terahertz pulses as an ultrafast electric field bias to prototypical BaTiO 3 ferroelectric thin films with the atomic-scale response probed by femtosecond x-ray-scattering techniques. We show that electric fields applied perpendicular to the ferroelectric polarization drive large-amplitude displacements of the titanium atoms along the ferroelectric polarization axis, comparable to that of the built-in displacements associated with the intrinsic polarization and incoherent across unit cells. This effect is associated with a dynamic rotation of the ferroelectric polarization switching on and then off on picosecond time scales. These transient polarization modulations are followed by long-lived vibrational heating effects driven by resonant excitation of the ferroelectric soft mode, as reflected in changes in the c-axis tetragonality. The ultrafast structural characterization described here enables a direct comparison with first-principles-based molecular-dynamics simulations, with good agreement obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tuning the electronic and the crystalline structure of LaBi by pressure: From extreme magnetoresistance to superconductivity

Here, extreme magnetoresistance (XMR) in topological semimetals is a recent discovery which attracts attention due to its robust appearance in a growing number of materials. To search for a relation between XMR and superconductivity, we study the effect of pressure on LaBi. By increasing pressure, we observe the disappearance of XMR followed by the appearance of superconductivity at P ≈ 3.5 GPa. We find a region of coexistence between superconductivity and XMR in LaBi in contrast to other superconducting XMR materials. The suppression of XMR is correlated with increasing zero-field resistance instead of decreasing in-field resistance. At higher pressures, P ≈ 11 GPa, we find a structural transition from the face-centered cubic lattice to a primitive tetragonal lattice, in agreement with theoretical predictions. The relationship between extreme magnetoresistance, superconductivity, and structural transition in LaBi is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Multiple superconducting states induced by pressure in Mo 3 Sb 7

Tuning competing ordering mechanisms with hydrostatic pressure in the 4 d intermetallic compound Mo 3 Sb 7 reveals an intricate interplay of structure, magnetism, and superconductivity. Synchrotron x-ray diffraction and magnetic susceptibility measurements, both employing diamond anvil cell technologies, link a first-order structural phase transition to a doubling of the superconducting transition temperature. In contrast to the spin-dimer picture for Mo 3 Sb 7 , we deduce from x-ray absorption near-edge structure and dc magnetization measurements at ambient pressure that Mo 3 Sb 7 should possess only very small, itinerant magnetic moments. As a result, the pressure evolution of the superconducting transition temperature strongly suggests its enhancement is due to a difference in the phonon density-of-states with changed crystal symmetry.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Orbital superconductivity, defects, and pinned nematic fluctuations in the doped iron chalcogenide FeSe 0.45 Te 0.55

We demonstrate that the differential conductance, dI/dV , measured via spectroscopic imaging scanning tunneling microscopy in the doped iron chalcogenide FeSe 0.45 Te 0.55 , possesses a series of characteristic features that allow one to extract the orbital structure of the superconducting gaps. This yields nearly isotropic superconducting gaps on the two hole-like Fermi surfaces, and a strongly anisotropic gap on the electron-like Fermi surface. Moreover, we show that the pinning of nematic fluctuations by defects can give rise to a dumbbell-like spatial structure of the induced impurity bound states, and explains the related C 2 -symmetry in the Fourier transformed differential conductance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spatially modulated susceptibility in thin film La 2 - x Ba x CuO 4

The high critical temperature superconductor Lanthanum Barium Copper Oxide (La 2-x Ba x CuO 4 or LBCO) exhibits a strong anomaly in critical temperature at 1/8th doping, nematicity, and other interesting properties. Here, we report Scanning Superconducting Quantum Interference Device (SQUID) imaging of the magnetic fields and susceptibility in a number of thin film LBCO samples with doping in the vicinity of the 1/8th anomaly. Spatially resolved measurements of the critical temperatures of these samples do not show a pronounced depression at 1/8th doping. They do, however, exhibit strong, nearly linear modulations of the susceptibility (“striae”) of multiple samples with surprisingly long periods of 1 - 4 μm. Counterintuitively, vortices trap in positions of largest diamagnetic susceptibility in these striae. Given the rich interplay of different orders in this material system and its known sensitivity to epitaxial strain, we propose phase separation as a possible origin of these features and discuss scenarios in which that might arise.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Anharmonicity-induced first-order isostructural phase transition of zirconium under pressure

We have performed a detailed x-ray diffraction structural study of Zr under pressure and unambiguously identify the existence of a first-order isostructural bcc-to-bcc phase transition near 58 GPa. First-principles quantum molecular dynamics calculations support the existence of this phase transition, in excellent agreement with experimental results, triggered by anharmonic effects. Lastly, our results highlight the potential ubiquity of anharmonically driven isostructural transitions within the periodic table under pressure and call for follow-up experimental and theoretical studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Granular bed consolidation, creep, and armoring under subcritical fluid flow

In this work, we show that a freshly sedimented granular bed settles and creeps forward over extended periods of time under an applied hydrodynamic shear stress which is below the critical value for bedload transport. The rearrangements are found to last over a timescale which is millions of times the sedimentation timescale of a grain in the fluid. Compaction occurs uniformly throughout the bed, but creep is observed to decay exponentially with depth and decreases over time. The granular volume fraction in the bed is found to increase logarithmically, saturating at the random close packing value Φ rcp ≈ 0.64, while the surface roughness is observed to remain essentially unchanged. We demonstrate that an increasingly higher shear stress is required to erode the bed, after a subcritical shear is applied, which results in an increase in its volume fraction. Thus, we find that bed armoring occurs due to a deep shear-induced relaxation of the bed toward the volume fraction associated with the glass transition.

58 GEOSCIENCES↗