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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Superconductivity from Luttinger surfaces: Emergent Sachdev-Ye-Kitaev physics with infinite-body interactions

The pairing of two electrons on a Fermi surface due to an infinitesimal attraction between them always results in a superconducting instability at zero temperature (T = 0). The equivalent question of pairing instability on a Luttinger surface (LS)—190a contour of zeros of the propagator—instead leads to a quantum critical point (QCP) that separates a non-Fermi liquid and superconductor. A surprising and little understood aspect of pair fluctuations at this QCP is that their thermodynamics maps to that of the Sachdev-Ye-Kitaev (SYK) model in the strong coupling limit. Here, we offer a simple justification for this mapping by demonstrating that (i) LS models share the reparametrization symmetry of the q → ∞ SYK model with q-body interactions close to the LS, and (ii) the enforcement of gauge invariance results in a $\frac{1}{√τ}$ (τ ~ T -1 ) behavior of the fluctuation propagator near the QCP, as is the feature of SYK conformal Green functions, but leaves the overall form of the free energy map robust.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effect of hydrostatic pressure and uniaxial strain on the electronic structure of Pb 1-x Sn x Te

The electronic structure of Pb 1–x Sn x Te is studied by using the relativistic Korringa-Kohn-Rostoker Green function method in the framework of density functional theory. For all concentrations x, Pb 1–x Sn x Te is a direct semiconductor with a narrow band gap. In contrast to pure lead telluride, tin telluride shows an inverted band characteristic close to the Fermi energy. It will be shown that this particular property can be tuned, first, by alloying PbTe and SnTe and, second, by applying hydrostatic pressure or uniaxial strain. Furthermore, the magnitude of strain needed to switch between the regular and inverted band gap can be tuned by the alloy composition. In conclusion, there is a range of potential usage of Pb 1–x Sn x Te for spintronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Realizing infrared power-law liquids in the cuprates from unparticle interactions

Recent photoemission experiments reveal that the excitations along the nodal region in the strange metal phase of the cuprates, rather than corresponding to poles in the single-particle Green function, exhibit power-law scaling as a function of frequency and temperature. Because such power-law scaling is indicative of a scale-invariant sector, as a first step, we perturbatively evaluate the electron self-energy due to interactions with scale-invariant unparticles. We focus on a G 0 W-type diagram with an interaction W mediated by a bosonic scalar unparticle. In this work, we find that in the high-temperature limit, the imaginary part of the self-energy Im$\Sigma$ is linear in temperature. In the low-temperature limit, Im$\Sigma$ exhibits the same power law in both temperature and frequency, with an exponent that depends on the scaling dimension of an unparticle operator. Such behavior is qualitatively consistent with the experimental observations. We then expand the unparticle propagator into coherent and incoherent contributions and study how the incoherent part violates the density of states (DOS) and density-density correlation function sum rules (f-sum rule). Such violations, in principle, can be observed experimentally. Our work indicates that the physical mechanism for the origin of the power-law scaling is the incoherent background, which is generated from the Mott-scale physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Reentrant Fulde-Ferrell-Larkin-Ovchinnikov state in small-sized superconductors

We study the effect of a parallel magnetic field in a thin and small superconductor. The field suppresses superconductivity through Zeeman coupling while stabilizing the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state at high fields before superconductivity is destroyed. When the spatial period of FFLO state is comparable to the size of the superconductor, there is a strong commensuration effect, which modifies the superconducting phase diagram. We investigate the FFLO state and the phase diagram in the presence of strong commensuration effect both for the s-and d-wave superconductors using the Bogoliubov–de Gennes equation, Green function approach, and Ginzburg-Landau theory. Here, we found that the superconducting phase diagram is strongly modulated. Interestingly, there is reentrance of superconductivity upon increasing the magnetic field. The commensuration effect of the FFLO state can be used to detect the FFLO state in experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Path description of coordinate-space amplitudes

We develop a coordinate version of light-cone-ordered perturbation theory, for general time-ordered products of fields, by carrying out integrals over one light-cone coordinate for each interaction vertex. The resulting expressions depend on the lengths of paths, measured in the same light-cone coordinate. Each path is associated with a denominator equal to a “light-cone deficit,” analogous to the “energy deficits” of momentum-space time- or light-cone-ordered perturbation theory. In effect, the role played by intermediate states in momentum space is played by paths between external fields in coordinate space. We derive a class of identities satisfied by coordinate diagrams, from which their imaginary parts can be derived. Using scalar QED as an example, we show how the eikonal approximation arises naturally when the external points in a Green function approach the light cone, and we give applications to products of Wilson lines. Although much of our discussion is directed at massless fields in four dimensions, we extend the formalism to massive fields and dimensional regularization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Variational Principle for Mass Transport

A variation principle for mass transport in solids is derived that recasts transport coefficients as minima of local thermodynamic average quantities. The result is independent of diffusion mechanisms and applies to amorphous and crystalline systems. This unifies different computational approaches for diffusion and provides a framework for the creation of new approximation methods with error estimation. It gives a different physical interpretation of the Green function. Lastly, the variational principle quantifies the accuracy of competing approaches for a nontrivial diffusion problem.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Time Evolution of Correlation Functions in Quantum Many-Body Systems

We give rigorous analytical results on the temporal behavior of two-point correlation functions—also known as dynamical response functions or Green’s functions—in closed many-body quantum systems. We show that in a large class of translation-invariant models the correlation functions factorize at late times $\langle$A ( t ) B$\rangle$ β → $\langle$ A$\rangle$ β $\langle$ B$\rangle$ β , thus proving that dissipation emerges out of the unitary dynamics of the system. We also show that for systems with a generic spectrum the fluctuations around this late-time value are bounded by the purity of the thermal ensemble, which generally decays exponentially with system size. For autocorrelation functions we provide an upper bound on the timescale at which they reach the factorized late time value. Remarkably, this bound is only a function of local expectation values and does not increase with system size. We give numerical examples that show that this bound is a good estimate in nonintegrable models, and argue that the timescale that appears can be understood in terms of an emergent fluctuation-dissipation theorem. Our study extends to further classes of two point functions such as the symmetrized ones and the Kubo function that appears in linear response theory, for which we give analogous results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Quantum Spin-Valley Hall Kink States: From Concept to Materials Design

We propose a general and tunable platform to realize high-density arrays of quantum spin-valley Hall kink (QSVHK) states with spin-valley-momentum locking based on a two-dimensional hexagonal topological insulator. Through the analysis of Berry curvature and topological charge, the QSVHK states are found to be topologically protected by the valley-inversion and time-reversal symmetries. Remarkably, the conductance of QSVHK states remains quantized against both nonmagnetic short- and long-range and magnetic long-range disorder, verified by the Green-function calculations. Based on first-principles results and our fabricated samples, we show that QSVHK states, protected with a gap up to 287 meV, can be realized in bismuthene by alloy engineering, surface functionalization, or electric field, supporting nonvolatile applications of spin-valley filters, valves, and waveguides even at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

tert-butoxides as precursors for atomic layer deposition of alkali metal containing thin films

Alkali metal containing materials have become increasingly attractive in a world hunting for sustainable energy materials and green functional devices. Lithium- and sodium battery technology, lead-free piezo- and ferroelectric devices, and record-breaking alkali doped tandem perovskite solar cells are among the applications where alkali metal-containing thin films get increasing attention. Atomic layer deposition (ALD) is one of the enabling thin film deposition techniques that offer chemical and geometrical versatility to realize the implementation of such thin films on an applicable scale. The drawback has until recently been a lack of available precursor chemistry that offers self-limiting growth that is fundamental to ALD. The alkali metal tert-butoxides have been shown to exhibit the necessary properties to facilitate saturating growth for Li-, Na-, K-, and Rb-containing compounds. However, the behavior of the tert-butoxides in ALD-growth has been considered difficult to unravel, with processes exhibiting limited control and low reproducibility. Very little has been reported on trends in reaction mechanisms as the mass of the alkali metal increases. Herein, we summarize the existing literature on the use of alkali metal tert-butoxides as precursors in ALD. We consider differences in the structure and behavior of the tert-butoxides as the alkali metal cation becomes heavier. In addition, we present precursor synthesis routes and key information on precursor structure, stability, and mechanistic behavior. Finally, we provide the first ever report of Cs-containing films by ALD to complement previous work on its lighter counterparts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film

We extend the theory for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4 × 4 matrix theory to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of the medium and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. Here, the results are compared to Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Thermal decay without information loss in horizonless microstate geometries

We develop a new hybrid WKB technique to compute boundary-to-boundary scalar Green functions in asymptotically-AdS backgrounds in which the scalar wave equation is separable and is explicitly solvable in the asymptotic region. We apply this technique to a family of six-dimensional \frac{1}{8} 1 8 -BPS asymptotically AdS _3\,\times\, 3 × S ^3 3 horizonless geometries that have the same charges and angular momenta as a D1-D5-P black hole with a large horizon area. At large and intermediate distances, these geometries very closely approximate the extremal-BTZ \,\times\, × S ^3 3 geometry of the black hole, but instead of having an event horizon, these geometries have a smooth highly-redshifted global-AdS _3\,\times\, 3 × S ^3 3 cap in the IR. We show that the response function of a scalar probe, in momentum space, is essentially given by the pole structure of the highly-redshifted global-AdS _3 3 modulated by the BTZ response function. In position space, this translates into a sharp exponential black-hole-like decay for times shorter than N_1 N_5 N 1 N 5 , followed by the emergence of evenly spaced “echoes from the cap,” with period \sim N_1 N_5 ∼ N 1 N 5 . Our result shows that horizonless microstate geometries can have the same thermal decay as black holes without the associated information loss.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Parallel Simulation of Beam Dynamics in Particle Accelerators [Slides]

LW3D was used to explore the expected CSR from an undulator-based diagnostic using a first-principles approach. It was also used for comparison with an analytic Green-function approach. LW3D was extended to model transport systems involving dipoles and quadrupoles. It was used to explore the radiation produced in a 4-dipole bunch compressor. Radiation ahead of the electron bunch at the beamline exit was shown to be associated with wavefronts produced in upstream dipoles overtaking the bunch.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Hierarchical Particle Mesh: An FFT-accelerated Fast Multipole Method

I observe a modification to the original Fast Multipole Method (FMM) of Greengard & Rokhlin that approximates the gravitation field of an FMM cell as a small uniform grid (a “gridlet”) of effective masses. The effective masses on a gridlet are set from the requirement that the multipole moments of the FMM cells are reproduced exactly, thus preserving the accuracy of the gravitational field representation. The measurement of the gravitational field from a multipole expansion can then be computed for all multipole orders simultaneously, with a single Fast Fourier Transform, significantly reducing the computational cost at a given value of the required accuracy. The described approach belongs to the class of “kernel independent” variants of the FMM method and works with any Green function.

79 ASTRONOMY AND ASTROPHYSICS↗