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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Optical spin polarization and Hanle effect in GaAsSb: Temperature dependence

Continuous-wave optical orientation spectroscopy and the Hanle effect are used to investigate the optical spin polarization and spin dephasing time (gT{sub s}) in GaAsSb with a Sb concentration of ∼6% as a function of temperature. Optical and spin polarizations up to ∼21% were achieved at ∼120 K, and the scaled spin lifetime gT{sub s} decreased monotonously from ∼1.5 ns at 5 K to ∼20 ps at 200 K. We demonstrate that the spin properties of GaAs could be modified by incorporating a small percentage of Sb into it, as a result of an increase in the spin–orbit interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Intrinsic transverse momentum and parton correlations from dynamical chiral symmetry breaking

The dynamical breaking of chiral symmetry in QCD is caused by nonperturbative interactions on a distance scale rho ~ 0.3 fm, much smaller than the typical hadronic size R ~ 1 fm. These short-distance interactions influence the intrinsic transverse momentum distributions of partons and their correlations at a low normalization point. We study this phenomenon in an effective description of the low-energy dynamics in terms of chiral constituent quark degrees of freedom, which refers to the large-N_c limit of QCD. The nucleon is obtained as a system of constituent quarks and antiquarks moving in a self-consistent classical chiral field (relativistic mean-field approximation, or chiral quark-soliton model). The calculated transverse momentum distributions of constituent quarks and antiquarks are matched with QCD quarks, antiquarks and gluons at the chiral symmetry--breaking scale rho^{-2}. We find that the transverse momentum distribution of valence quarks is localized at p_T^2 ~ R^{-2} and roughly of Gaussian shape. The distribution of unpolarized sea quarks exhibits a would-be power-like tail ~1/p_T^2 extending up to the chiral symmetry-breaking scale. Similar behavior is observed in the flavor-nonsinglet polarized sea. The high-momentum tails are the result of short-range correlations between sea quarks in the nucleon&#x27;s light-cone wave function, which are analogous to short-range NN correlations in nuclei. We show that the nucleon&#x27;s light-cone wave function contains correlated pairs of transverse size rho << R with scalar-isoscalar (Sigma) and pseudoscalar-isovector (Pi) quantum numbers, whose internal wave functions have a distinctive spin structure and become identical at p_T^2 ~ rho^{-2} (restoration of chiral symmetry). These features are model-independent and represent an effect of dynamical chiral symmetry breaking on the nucleon&#x27;s partonic structure. Our results have numerous implications for the transverse momentum distributions of particles produced in hard scattering processes. Under certain conditions the nonperturbative parton correlations predicted here could be observed in particle correlations between the current and target fragmentation regions of deep-inelastic scattering.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Causality constraints on corrections to the graviton three-point coupling

In this paper, we consider higher derivative corrections to the graviton three-point coupling within a weakly coupled theory of gravity. Lorentz invariance allows further structures beyond the one present in the Einstein theory. We argue that these are constrained by causality. We devise a thought experiment involving a high energy scattering process which leads to causality violation if the graviton three-point vertex contains the additional structures. This violation cannot be fixed by adding conventional particles with spins J ≤ 2. But, it can be fixed by adding an in finite tower of extra massive particles with higher spins, J > 2. In AdS theories this implies a constraint on the conformal anomaly coefficients |$\frac{a-c}{c}$|≲ $\frac{1}{2}$ ${^Δ}_{gap}$ in terms of Δgap, the dimension of the lightest single trace operator with spin J > 2. Lastly, for inflation, or de Sitter-like solutions, it indicates the existence of massive higher spin particles if the gravity wave non-gaussianity deviates significantly from the one computed in the Einstein theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Cu substituted CeCo 5 : New optimal permanent magnetic material with reduced criticality

A comprehensive theoretical prediction using a mechanism of site substitution confirms the crucial role of Cu in enhancing the capabilities of CeCo 5 as a competitive magnet with its known high coercivity. A remarkable enhancement of magnetic anisotropy energy (MAE) of 3.09 meV/f.u. and 2.94 meV/f.u. without significant decrease of magnetic moment is found for 10% and 5% Cu substitution at 2c sites of the hexagonal lattice. Our calculations predict the increment of coercivity and magnetocrystalline anisotropy (1.6 times) compared to pristine CeCo 5 . Furthermore, the exceptional enhancement in MAE is due to the formation of asymmetric charge hybridization among the Cu (2c) and Co (both 2c and 3g) sites along the uniaxial direction. Because of this asymmetric charge distribution environment, the intrinsic behavior of Ce adjacent to Cu changes abruptly making them more uniaxial and magnetically enhanced creating mixed valence states. For our calculations, we have employed the full-potential augmented plane wave method in conjunction with spin orbit coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Fermi surface origin of the low-temperature magnetoresistance anomaly

Magnetoresistance (MR) at a fixed field can demonstrate a non-monotonic temperature dependence—an anomaly—in many systems, including low-dimensional chalcogenides, spin- and charge-density-wave metals, and topological semimetals. These systems are often low-carrier-density compensated metals, and the physics are expected to be quasi-classical. Nevertheless, the MR anomaly also exists in the highly conductive metals Cr, Mo, and W for both linear and quadratic field dependence, with their non-saturation attributed to either open orbit or electron-hole compensation. We argue that quantum transport across sharp Fermi surface arcs, but not necessarily the full cyclotron orbit, governs this MR anomaly, thereby accounting for the profound effects of disorder. In Cr, an overlay exists between three temperature dependences: MR at a constant high field, linear MR at a low field, and Shubnikov-de Haas (SdH) oscillations of the smallest orbit. In Mo, the MR anomaly extends beyond the temperature of its SdH oscillations but disappears before Kohler’s scaling reemerges.

Feng, Yejun [Okinawa Institute of Science and Tech↗
DOE OSTI2017

Electronic Structure and Properties of Berkelium Iodates

The reaction of 249 Bk(OH) 4 with iodate under hydrothermal conditions results in the formation of Bk(IO 3 ) 3 as the major product with trace amounts of Bk(IO 3 ) 4 also crystallizing from the reaction mixture. The structure of Bk(IO 3 ) 3 consists of nine-coordinate Bk III cations that are bridged by iodate anions to yield layers that are isomorphous with those found for Am III , Cf III , and with lanthanides that possess similar ionic radii. Bk(IO 3 ) 4 was expected to adopt the same structure as M(IO 3 ) 4 (M = Ce, Np, Pu), but instead parallels the structural chemistry of the smaller Zr IV cation. Bk III –O and Bk IV –O bond lengths are shorter than anticipated and provide further support for a postcurium break in the actinide series. Photoluminescence and absorption spectra collected from single crystals of Bk(IO 3 ) 4 show evidence for doping with Bk III in these crystals. In addition to luminescence from Bk III in the Bk(IO 3 ) 4 crystals, a broad-band absorption feature is initially present that is similar to features observed in systems with intervalence charge transfer. However, the high-specific activity of 249 Bk ( t 1/2 = 320 d) causes oxidation of Bk III and only Bk IV is present after a few days with concomitant loss of both the BkIII luminescence and the broadband feature. The electronic structure of Bk(IO 3 ) 3 and Bk(IO 3 ) 4 were examined using a range of computational methods that include density functional theory both on clusters and on periodic structures, relativistic ab initio wave function calculations that incorporate spin–orbit coupling (CASSCF), and by a full-model Hamiltonian with spin–orbit coupling and Slater–Condon parameters (CONDON). Some of these methods provide evidence for an asymmetric ground state present in Bk IV that does not strictly adhere to Russel–Saunders coupling and Hund’s Rule even though it possesses a half-filled 5 f 7 shell. Multiple factors contribute to the asymmetry that include 5 f electrons being present in microstates that are not solely spin up, spin–orbit coupling induced mixing of low-lying excited states with the ground state, and covalency in the Bk IV –O bonds that distributes the 5f electrons onto the ligands. These factors are absent or diminished in other f 7 ions such as Gd III or Cm III .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Scissors Mode of 162 Dy Studied from Resonance Neutron Capture

Multi-step cascade γ-ray spectra from the neutron capture at isolated resonances of 161Dy nucleus were measured at the LANSCE/DANCE time-of-flight facility in Los Alamos National Laboratory. The objectives of this experiment were to confirm and possibly extend the spin assignment of s-wave neutron resonances and get new information on photon strength functions with emphasis on the role of the M1 scissors mode vibration. The preliminary results show that the scissors mode plays a significant role in all transitions between accessible states of the studied nucleus. The photon strength functions describing well our data are compared to results from 3He-induced reactions, (n,γ) experiments on Gd isotopes, and (γ,γ’) reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Dynamical electron correlation and the chemical bond. I. Covalent bonds in AH and AF (A = B–F)

Dynamical electron correlation has a major impact on the computed values of molecular properties and the energetics of molecular processes. This study focused on the effect of dynamical electron correlation on the spectroscopic constants ($R$ e , $ω$ e , $D$ e ), and potential energy curves, Δ$E$($R$), of the covalently bound AH and AF molecules, A = B–F. The changes in the spectroscopic constants (Δ$R$ e , Δ$ω$ e , Δ$D$ e ) caused by dynamical correlation are erratic and, at times, even surprising. These changes can be understood based on the dependence of the dynamical electron correlation energies of the AH and AF molecules as a function of the bond distance, i.e., Δ$E$ DEC ($R$). At large $R$, the magnitude of Δ$E$ DEC ($R$) increases nearly exponentially with decreasing $R$, but this increase slows as $R$ continues to decrease and, in many cases, even reverses at very short $R$. The changes in Δ$E$ DEC ($R$) in the region around $R$ e were as unexpected as they were surprising, e.g., distinct minima and maxima were found in the curves of Δ$E$ DEC ($R$) for the most polar molecules. The variations in Δ$E$ DEC ($R$) for $R$ ≲ $R$ e are directly correlated with major changes in the electronic structure of the molecules as revealed by a detailed analysis of the spin-coupled generalized valence bond wave function. In conclusion, the results reported here indicate that we have much to learn about the nature of dynamical electron correlation and its effect on chemical bonds and molecular properties and processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Anomalies in the pseudogap phase of the cuprates: Competing ground states and the role of umklapp scattering

Over the past two decades, improvements in computational algorithms have shown a curious property of the two-dimensional Hubbard model (and related theories) with hole doping: the presence of close-in-energy competing ground states that display very different physical properties. Firstly, there is a complicated state exhibiting intertwined spin, charge, and pair density wave orders. We call this 'type A'. In contrast, there is a uniform d-wave superconducting state that we denote as 'type B'. We advocate, with the support of both microscopic theoretical calculations and experimental data, dividing the high-temperature cuprate superconductors into two corresponding families, whose properties reflect either the type A or type B ground states at low temperatures. We review the anomalous properties of the pseudogap phase that led us to this picture, and present a modern perspective on the role that umklapp scattering plays in these phenomena in the type B materials. This reveals a consistent framework that has emerged over the last decade, in which Mott correlations at weak coupling drive the formation of the pseudogap. We discuss this development, recent theory and experiments, and open issues.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Meron, skyrmion, and vortex crystals in centrosymmetric tetragonal magnets

The recent experimental confirmation of a transformation between meron and skyrmion topological spin textures in the chiral magnet Co 8 Zn 9 Mn 3 confirms that the skyrmion crystals discovered in 2009 are just the tip of the iceberg. Crystals of topological textures, including skyrmions, merons, vortices, and monopoles, can be stabilized by combining simple physical ingredients, such as lattice symmetry, frustration, and spin anisotropy. The current challenge is to find the combinations of these ingredients that produce specific topological spin textures. In this work, we report a simple mechanism for the stabilization of meron, skyrmion, and vortex crystals in centrosymmetric tetragonal magnets. In particular, the meron/skyrmion crystals can form even in absence of magnetic field. The application of magnetic field leads to a rich variety of topological spin textures that survive in the long wavelength limit of the theory. When conduction electrons are coupled to the spins, these topological spin textures twist the electronic wave functions to induce Chern insulators and Weyl semimetals for specific band filling fractions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Bardeen-Cooper-Schrieffer pairing of composite fermions

Topological pairing of composite fermions has led to remarkable ideas, such as excitations obeying non-Abelian braid statistics and topological quantum computation. Here, we construct a p-wave paired Bardeen-Cooper-Schrieffer (BCS) wave function for composite fermions in the torus geometry, which is a convenient geometry for formulating momentum space pairing as well as for revealing the underlying composite-fermion Fermi sea. Following the standard BCS approach, we minimize the Coulomb interaction energy at half filling in the lowest and the second Landau levels, which correspond to filling factors ν = 1/2 and ν = 5/2 in GaAs quantum wells, by optimizing two variational parameters that are analogous to the gap and the Debye cut-off energy of the BCS theory. Our results show no evidence for pairing at ν = 1/2 but a clear evidence for pairing at ν = 5/2. To a good approximation, the highest overlap between the exact Coulomb ground state at ν = 5/2 and the BCS state is obtained for parameters that minimize the energy of the latter, thereby providing support for the physics of composite-fermion pairing as the mechanism for the 5/2 fractional quantum Hall effect. We discuss the issue of modular covariance of the composite-fermion BCS wave function, and calculate its Hall viscosity and pair correlation function. By similar methods, we look for but do not find an instability to s-wave pairing for a spin-singlet composite-fermion Fermi sea at half-filled lowest Landau level in a system where the Zeeman splitting has been set to zero.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Spin excitations in a model of FeSe with orbital ordering

We present a theoretical study of the dynamical spin susceptibility for the intriguing Fe-based superconductor FeSe, based on a tight-binding model developed to account for the temperature-dependent band structure in this system. The model allows for orbital ordering in the d xz /d yz channel below the structural transition and presents a strongly C 4 -symmetry-broken Fermi surface at low temperatures which accounts for the nematic properties of this material. The calculated spin excitations are peaked at wave vector (π,0) in the 1-Fe Brillouin zone, with a broad maximum at energies of order a few meV. In this range, the occurrence of superconductivity sharpens this peak in energy, creating a (π,0) “neutron resonance” as seen in recent experiments. With the exception of the quite low energy scale of these fluctuations, these results are roughly similar to standard behavior in Fe pnictide systems. At higher energies, however, intensity increases and shifts to wave vectors along the (π,0)–(π,π) line. Here, we compare with existing inelastic neutron experiments and NMR data, and give predictions for further studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Manipulating magnetic moments by superconducting currents

Here, we show that the interaction between a superconducting order parameter and the magnetic moment of an atomic cluster in a two-dimensional s-wave superconductor with Rashba spin-orbit coupling generates magnetic anisotropy that can be stronger or comparable to the magnetic anisotropy due to the crystal field and the shape of the cluster. Transport current through the superconductor produces the effective magnetic field acting on the cluster’s magnetic moment. The direction of the effective field depends on the direction of the current, thus allowing one to manipulate the magnetic moment by the superconducting current. Due to the large density of the superconducting current this method of magnetization reversal can be more advantageous at low temperatures than the spin-transfer torque method that requires a large spin-polarized current through a normal metal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Vestigial nematicity from spin and/or charge order in the cuprates

Nematic order has manifested itself in a variety of materials in the cuprate family. We propose an effective field theory of a layered system with incommensurate, intertwined spin- and charge-density wave (SDW and CDW) orders, each of which consists of two components related by C4 rotations. Using a variational method (which is exact in a large N limit), we study the development of nematicity from partially melting those density waves by either increasing temperature or adding quenched disorder. As temperature decreases we first find a transition to a nematic phase, but depending on the range of parameters (e.g. doping concentration) the strongest fluctuations associated with this phase reflect either proximate SDW or CDW order. We also discuss the changes in parameters that can account for the differences in the SDW-CDW interplay between the (214) family and the other hole-doped cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Resonance extractions in the {alpha}+{sup 8}He slow scattering

The {alpha}+{sup 8}He low-energy reactions and the exotic structures of {sup 12}Be={alpha}+{alpha}+4N are studied by the application of the generalized two-center cluster model. In the two-neutron transfer reactions, {alpha}+{sup 8}He{sub g.s.}{yields}{sup 6}He{sub g.s.}+{sup 6}He{sub g.s.}, resonant structures with a sharp width of {Gamma}<1 MeV appear in the central collision (J{sup {pi}=}0{sup +}). The reaction mechanism is analyzed, and we confirmed that the transfer coupling plays essential roles in the resonance formation with sharp width. Angular distributions for the scattered {sup 6}He are analyzed to extract resonant structures for individual partial waves. We found that, for the low-spin resonances, the angular selection around 90 deg. in the center-of-mass system, which is usually employed in the high-spin resonances of light-ion systems, is not necessarily appropriate to separate the resonance contribution with a definite spin. The validity of the selection angle around 90 deg. is discussed in the higher partial waves.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Spectroscopic study of the radionuclide 21 Na for the astrophysical 17 F(α,p) 20 Ne reaction rate

The 24 Mg(p,α) 21 Na reaction was measured at the Holifield Radioactive Ion Beam Facility of the Oak Ridge National Laboratory to study the spectroscopy of the radionuclide 21 Na. A 31-MeV proton beam from the 25 MV tandem accelerator bombarded isotopically enriched 24 Mg targets. Recoiling 4 He particles were identified by an annular silicon strip detector array. Two energy levels at E x =6.594 and 7.132 MeV were observed for the first time. By comparing the experimentally obtained angular distributions and distorted wave Born approximation calculations, the spins and parities of 21 Na energy levels were constrained. The astrophysically-important 17 F(α,p) 20 Ne reaction rate was also calculated for the first time using resonance parameters for 12 energy levels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Implementation of general background electromagnetic fields on a periodic hypercubic lattice

Nonuniform background electromagnetic fields, once implemented in lattice quantum chromodynamics calculations of hadronic systems, provide a means to constrain a large class of electromagnetic properties of hadrons and nuclei, from their higher electromagnetic moments and charge radii to their electromagnetic form factors. In this work, we show how nonuniform fields can be constructed on a periodic hypercubic lattice under certain conditions and determine the precise form of the background Uð1Þ gauge links that must be imposed on the quantum chromodynamics gauge-field configurations to maintain periodicity. Once supplemented by a set of quantization conditions on the background-field parameters, this construction guarantees that no nonuniformity occurs in the hadronic correlation functions across the boundary of the lattice. Lastly, the special cases of uniform electric and magnetic fields, a nonuniform electric field that varies linearly in one spatial coordinate (relevant to the determination of quadruple moment and charge radii), nonuniform electric and magnetic fields with given temporal and spatial dependences (relevant to the determination of nucleon spin polarizabilities) and plane-wave electromagnetic fields (relevant to the determination of electromagnetic form factors) are discussed explicitly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗