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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Density functional of a two-dimensional gas of dipolar atoms: Thomas-Fermi-Dirac treatment

We derive the density functional for the ground-state energy of a two-dimensional, spin-polarized gas of neutral fermionic atoms with magnetic-dipole interaction, in the Thomas-Fermi-Dirac approximation. For many atoms in a harmonic trap, we give analytical solutions for the single-particle spatial density and the ground-state energy, in dependence on the interaction strength, and we discuss the weak-interaction limit that is relevant for experiments. We then lift the restriction of full spin polarization and account for a time-independent inhomogeneous external magnetic field. The field strength necessary to ensure full spin polarization is derived.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Magnetic-field-induced nontrivial electronic state in the Kondo-lattice semimetal CeSb

Synergic effect of electronic correlation and spin-orbit coupling is an emerging topic in topological materials. Central to this rapidly developing area are the prototypes of strongly correlated heavy-fermion systems. Recently, some Ce-based compounds are proposed to host intriguing topological nature, among which the electronic properties of CeSb are still under debate. Herein, we report a comprehensive study combining magnetic and electronic transport measurements, and electronic band-structure calculations of this compound to identify its topological nature. Quantum oscillations are clearly observed in both magnetization and magnetoresistance at high fields, from which one pocket with a nontrivial Berry phase is recognized. Angular-dependent magnetoresistance shows that this pocket is elongated in nature and corresponds to the electron pocket as observed in LaBi. Nontrivial electronic structure of CeSb is further confirmed by first-principle calculations, which arises from spin splitting in the fully polarized ferromagnetic state. These features indicate that magnetic field can induce nontrivial topological electronic states in this prototypical Kondo semimetal.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ground state in proximity to a possible Kitaev spin liquid: The undistorted honeycomb iridate Na x IrO 3 (0.60 ≤ x ≤ 0.80)

Here, we report the results of our study of a recently synthesized honeycomb iridate Na x IrO 3 (0.60 ≤ x ≤ 0.80). Single-crystal Na x IrO 3 adopts a honeycomb lattice noticeably without distortions and stacking disorder inherently existent in its sister compound Na 2 IrO 3 . The oxidation state of the Ir ion is a mixed valence state resulting from a majority Ir 5+ (5d 4 ) ion and a minority Ir 6+ (5d 3 ) ion. Na x IrO 3 is a Mott insulator likely with a predominant pseudospin =1 state. It exhibits an effective moment of 1.1 μB/Ir and a Curie-Weiss temperature of –19 K but with no discernible long-range order above 1 K. The physical behavior below 1 K features two prominent anomalies at T h = 0.9 K and T l = 0.12 K in both the heat capacity and AC magnetic susceptibility. Intermediate between T h and T l lies a pronounced temperature linearity of the heat capacity with a large slope of 77 mJ /mole K 2 , a feature expected for highly correlated metals but not at all for insulators. These results along with a comparison drawn with the honeycomb lattices Na 2 IrO 3 and (Na 0.2 Li 0.8 ) 2 IrO 3 point to an exotic ground state in proximity to a possible Kitaev spin liquid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Topological antiferromagnetic semimetal for spintronics: A case study of a layered square-net system EuZnSb 2

Here, we use the first-principles and effective Hamiltonian methods to study the electronic structure and magnetic properties of a recently synthesized layered antiferromagnetic square-net topological semimetal EuZnSb2 [Phys. Rev. Res. 2, 033462 (2020)]. The main message of the paper is that effects of small changes in the band structure produced by the magnetic ordering and changes in the orientation of the Néel vector are amplified in such transport properties as the spin Hall conductivity. We predict that the effects of the broken symmetry introduced by the ordering of the Néel vector, being very weak in the bulk, are pronounced in the surface electronic dispersion, suggesting that surface probes may be more suited to measure them. The coexistence of the magnetism with many other competing phases make this material interesting and possibly useful for quantum spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Fracton superfluid hydrodynamics

We examine the hydrodynamics of systems with spontaneously broken multipolar symmetries using a systematic effective field theory. We focus on the simplest nontrivial setting: a system with charge and dipole symmetry, but without momentum conservation. When no symmetries are broken, our formalism reproduces the quartic subdiffusion (ω ~ –ik 4 ) characteristic of “fracton hydrodynamics” with conserved dipole moment. Our formalism also captures spontaneous breaking of charge and/or dipole symmetry. When charge symmetry is spontaneously broken, the hydrodynamic modes are quadratically propagating and quartically relaxing (ω ~ ±k 2 – ik 4 ). When the dipole symmetry is spontaneously broken but the charge symmetry is preserved, then we find quadratically relaxing (diffusive) transverse modes, plus another mode which, depending on parameters, may be either purely diffusive (ω ~ – ik 2 ) or quadratically propagating and quadratically relaxing (ω ~ ± k 2 – ik 2 ). Furthermore, our work provides concrete predictions that may be tested in near-term cold atom experiments, and also lays out a general framework that may be applied to study systems with spontaneously broken multipolar symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Skyrmion lattice manipulation with electric currents and thermal gradients in MnSi

The skyrmion lattice (SkL) in MnSi was studied using small-angle neutron scattering and under the influence of a radial electric current in a Corbino geometry. In response to the applied current, the SkL undergoes an angular reorientation with respect to the MnSi crystal lattice. The reorientation is nonmonotonic with increasing current, with the SkL rotating first in one direction and then the other. The SkL reorientation was studied at different sample locations and found to depend on the local current density as inferred from a finite-element analysis. Here, the nonmonotonic response indicates the presence of two competing effects on the SkL, most likely due to the presence of both radial electric and thermal currents. Such a scenario is supported by micromagnetic simulations, which show how these effects can act constructively or destructively to drive the SkL rotation, depending on the direction of the electric current. In addition, the simulations also suggest how the direction of the skyrmion flow may affect the SkL orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Long-range exchange interaction between magnetic impurities in graphene

The effective spin exchange RKKY coupling between impurities (adatoms) on graphene mediated by conduction electrons is studied as a function of the strength of the potential part of the on-site energy U of the electron-adatom interaction. With increasing U, the exchange coupling becomes long range, determined largely by the impurity levels with energies close to the Dirac points. Finally, when adatoms reside on opposite sublattices, their exchange coupling, normally antiferromagnetic, becomes ferromagnetic and resonantly enhanced at a specific distance where an impurity level crosses the Dirac point.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Density-functional theory for systems with noncollinear spin: Orbital-dependent exchange-correlation functionals and their application to the Hubbard dimer

Here, a class of orbital-dependent exchange-correlation potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential formalism for the exact exchange potential—generalized to the noncollinear case—correlation effects are added via a self-consistent procedure inspired by the Singwi-Tosi-Land-Sjölander method. The orbital-dependent exchange-correlation potentials are applied to the Hubbard dimer in uniform and noncollinear magnetic fields and compared to exact diagonalization and to the Bethe-ansatz local spin-density approximation. The Singwi-Tosi-Land-Sjölander method gives the overall best performance for total energies, densities, and magnetizations, particularly in the weakly to moderately correlated regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Cooling of neutron stars in soft x-ray transients

Thermal states of neutron stars in soft x-ray transients (SXRTs) are thought to be determined by “deep crustal heating” in the accreted matter that drives the quiescent luminosity and cooling via emission of photons and neutrinos from the interior. In this work, we assume a global thermal steady state of the transient system and calculate the heating curves (quiescent surface luminosity as a function of mean accretion rate) predicted from theoretical models, taking into account variations in the equations of state, superfluidity gaps, thickness of the light element layer, and a phenomenological description of the direct Urca threshold. We further provide a statistical analysis on the uncertainties in these parameters, and compare the overall results with observations of several SXRTs, in particular the two sources containing the coldest (SAX J1808.4-3658) and the hottest (Aql X-1) neutron stars. Interpretation of the observational data indicates that the direct Urca process is required for the most massive stars and also suggests small superfluid gaps.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Fractional Topological Insulators in Three Dimensions

Topological insulators can be generally defined by a topological field theory with an axion angle {theta} of 0 or {pi}. In this work, we introduce the concept of fractional topological insulator defined by a fractional axion angle and show that it can be consistent with time reversal T invariance if ground state degeneracies are present. The fractional axion angle can be measured experimentally by the quantized fractional bulk magnetoelectric polarization P{sub 3}, and a 'halved' fractional quantum Hall effect on the surface with Hall conductance of the form {sigma}{sub H}=(p/q)(e{sup 2}/2h) with p, q odd. In the simplest of these states the electron behaves as a bound state of three fractionally charged 'quarks' coupled to a deconfined non-Abelian SU(3) 'color' gauge field, where the fractional charge of the quarks changes the quantization condition of P{sub 3} and allows fractional values consistent with T invariance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Extracting the Quantum Hall Conductance from a Single Bulk Wave Function

In this work, we propose a new formula that extracts the quantum Hall conductance from a single (2+1)⁢ D gapped wave function. The formula applies to general many-body systems that conserve particle number, and is based on the concept of modular flow, i.e., unitary dynamics generated from the entanglement structure of the wave function. The formula is shown to satisfy all formal properties of the Hall conductance: it is odd under time reversal and reflection, even under charge conjugation, universal and topologically rigid in the thermodynamic limit. Further evidence for relating the formula to the Hall conductance is obtained from conformal field theory arguments. Finally, we numerically check the formula by applying it to a noninteracting Chern band where excellent agreement is obtained.

2-dimensional systems↗
DOE OSTI2014

Colored hard coatings with AlN–TiN multilayer structures

AlN–TiN multilayer structures can be used to extend the color gamut of hard coatings while maintaining good hardness and corrosion resistance. This study used reactive magnetron sputtering on a glass substrate to produce coatings with a microhardness of 19 GPa as well as optical reflectance exceeding 80% and controllable saturation (chroma) for various hues of red, yellow, green, blue, and purple. The authors characterized the complex index of refraction of the TiN films using ellipsometry; the real refractive indices of the AlN films were derived from the reflectance values obtained using photometry. Finally, the colors of the samples were quantified using CIE-1931 chromaticity coordinates in the L*a*b* color space, and the microhardness of the films was measured using a nanoindenter. Simulation results using a multiple-beam-interference recursive method presented good consistency with experimental measurements with regard to the optical reflective spectra of AlN–TiN multilayer thin film samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Application of a generalized matrix averaging method for the calculation of the effective properties of thin multiferroic layers

It is proposed to use a generalized matrix averaging (GMA) method for calculating the parameters of an effective medium with physical properties equivalent to those of a set of thin multiferroic layers. This approach obviates the need to solve a complex system of magnetoelectroelasticity equations. The required effective characteristics of a system of multiferroic layers are obtained using only operations with matrices, which significantly simplifies calculations and allows multilayer systems to be described. The proposed approach is applicable to thin-layer systems, in which the total thickness is much less than the system length, radius of curvature, and wavelengths of waves that can propagate in the system (long-wave approximation). Using the GMA method, it is also possible to obtain the effective characteristics of a periodic structure with each period comprising a number of thin multiferroic layers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1982

Neutron star evolutionary sequences

Detailed numerical calculations which are solutions of the full set of general relativistic equations describing the evolution of a spherical star are presented, for the case of the evolution of neutron stars that are cooling over the central temperatures range of 10 to the 10th to 10 to the 7th K. The effects of nucleon superfluidity in the inner crust and core are included, and models are constructed with and without a pion condensate at high densities. It is found that the localized neutrino cooling which dominates the early evolution of neutron stars is so rapid that heat transport within the star cannot keep pace, and temperature distribution is not isothermal. The residual contraction of the neutron star during the early cooling phase contributes little to the heat budget of the star, and most of the gravitational energy released raises the Fermi energy of the degenerate nucleons. It is concluded that since calculations with and without pion condensate are consistent with the upper limits of current observations, these are not sufficient in distinguishing between the various models of neutron star cooling.

Richardson, M. B.↗
DOE OSTI2024

Magnetic, charge, and bond order in the two-dimensional Su-Schrieffer-Heeger-Holstein model

Most nonperturbative numerical studies of electron-phonon interactions focus on model Hamiltonians where the electrons interact with a phonon branch via a single type of microscopic mechanism. Two commonly explored couplings in this context are the Holstein and Su-Schrieffer-Heeger (SSH) interactions, which describe phonons modulating the on-site energy and intersite electron hopping, respectively. Many materials, however, have multiple phonon branches that can each interact with electronic degrees of freedom in different ways. We present here a determinant quantum Monte Carlo study of the half-filled two-dimensional (bond) SSH-Holstein Hamiltonian, where electrons couple to different phonon branches via either the Holstein or SSH mechanism. As a result, we map the model's phase diagram and determine the nature of the transitions between charge-density wave, bond-order wave, and antiferromagnetic order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Magnetic order and spin excitations in the Kitaev–Heisenberg model on a honeycomb lattice

We consider the quasi-two-dimensional pseudo-spin-1/2 Kitaev–Heisenberg model proposed for A{sub 2}IrO{sub 3} (A = Li, Na) compounds. The spin-wave excitation spectrum, the sublattice magnetization, and the transition temperatures are calculated in the random phase approximation for four different ordered phases observed in the parameter space of the model: antiferromagnetic, stripe, ferromagnetic, and zigzag phases. The Néel temperature and temperature dependence of the sublattice magnetization are compared with the experimental data on Na{sub 2}IrO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2010

Identification of B-K near edge x-ray absorption fine structure peaks of boron nitride thin films prepared by sputtering deposition

Four {pi}{sup *} resonance peaks were observed in the B-K near edge x-ray absorption fine structure spectra of boron nitride thin films prepared by magnetron sputtering. In the past, these peaks have been explained as the K-absorption of boron atoms, which are present in environment containing nitrogen vacancies, the number of which is 1-3 corresponding to the three peaks at higher photon energy. However, the authors found that there was a strong correlation between the intensities of these three peaks and that of O-K absorption after wide range scanning and simultaneous measurement of nitrogen and oxygen K-absorptions of the BN films. Therefore, the authors conclude that these three peaks at the higher energy side correspond to boron atoms bound to one-to-three oxygen atoms instead of three nitrogen atoms surrounding the boron atom in the h-BN structure. The result of the first-principles calculation with a simple cluster model supported the validity of this explanation.

36 MATERIALS SCIENCE↗