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At least 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quasimolecular 𝐽 tet = 3/2 Moments in the Cluster Mott Insulator GaTa 4 ⁢Se 8

Quasimolecular orbitals in cluster Mott insulators provide a route to tailor exchange interactions, which may yield novel quantum phases of matter. Here, we demonstrate the cluster Mott character of the lacunar spinel GaTa 4 Se 8 using resonant inelastic x-ray scattering (RIXS) at the Ta L 3 edge. Electrons are fully delocalized over Ta 4 tetrahedra, forming quasimolecular J tet = 3/2 moments. The modulation of the RIXS intensity as function of the transferred momentum q allows us to determine the cluster wave function, which depends on competing intracluster hopping terms that mix states with different character. This mixed wave function is decisive for the macroscopic properties since it affects intercluster hopping and exchange interactions and furthermore renormalizes the effective spin-orbit coupling constant. The versatile wave function, tunable via intracluster hopping, opens a new perspective on the large family of lacunar spinels and cluster Mott insulators in general.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Assessing Relativistic Effects and Electron Correlation in the Actinide Metals Th to Pu

Density functional theory (DFT) calculations are employed to explore and assess the effects of the relativistic spin–orbit interaction and electron correlations in the actinide elements. Specifically, we address electron correlations in terms of an intra-atomic Coulomb interaction with a Hubbard U parameter (DFT + U). Contrary to recent beliefs, we show that for the ground-state properties of the light actinide elements Th to Pu, the DFT + U makes its best predictions for U = 0. Actually, our modeling suggests that the most popular DFT + U formulation leads to the wrong ground-state phase for plutonium. Instead, extending DFT and the generalized gradient approximation (GGA) with orbital–orbital interaction (orbital polarization; OP) is the most accurate approach. We believe the confusion in the literature on the subject mostly originates from incorrectly accounting for the spin–orbit (SO) interaction for the p 1/2 state, which is not treated in any of the widely used pseudopotential plane-wave codes. Here, we show that for the actinides it suffices to simply discard the SO coupling for the p states for excellent accuracy. We thus describe a formalism within the projector-augmented-wave (PAW) scheme that allows for spin–orbit coupling, orbital polarization, and non-collinear magnetism, while retaining an efficient calculation of Hellmann–Feynman forces. We present results of the ground-state phases of all the light actinide metals (Th to Pu). Furthermore, we conclude that the contribution from OP is generally small, but substantial in plutonium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Symmetry rules shaping spin-orbital textures in surface states

Strong spin-orbit coupling creates exotic electronic states such as Rashba and topological surface states, which hold promise for technologies involving the manipulation of spin. Only recently has the complexity of these surface states been appreciated: they are composed of several atomic orbitals with distinct spin textures in momentum space. A complete picture of the wave function must account for this orbital dependence of spin. In this work, we discover that symmetry constrains the way orbital and spin components of a state coevolve as a function of momentum, and from this, we determine the rules governing how the two degrees of freedom are interwoven. We directly observe this complexity in spin-resolved photoemission and ab initio calculations of the topological surface states of Sb(111), where the photoelectron spin direction near $\bar{Γ}$ is found to have a strong and unusual dependence on photon polarization. This dependence unexpectedly breaks down at large |k|, where the surface states mix with other nearby surface states. However, along mirror planes, symmetry protects the distinct spin orientations of different orbitals. Our discovery broadens the understanding of surface states with strong spin-orbit coupling, demonstrates the conditions that allow for optical manipulation of photoelectron spin, and will be highly instructive for future spintronics applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

An analysis of whistler waves at interplanetary shocks

We present an analysis of whistler wave magnetic and electric field amplitude ratios from which we compute wave propagation angles and energies of electrons in resonance with the waves. To do this analysis, we compute the theoretical dependence of ratios of wave components on the whistler wave propagation angle Theta for various combinations of orthogonal wave components. Ratios of wave components that would be observed by a spinning spacecraft are determined, and the effects of arbitrary inclinations of the spacecraft to the ambient magnetic field and to the whistler wave vector are studied. This analysis clearly demonstrates that B/E, the ratio of magnetic to electric field amplitudes, cannot be assumed to be the wave index of refraction, contrary to assumptions of some earlier studies. Therefore previous interpretations of whistler wave observations based on this assumption must be reinvestigated. B/E ratios derived using three orthogonal wave components can be used to unambiguously determine Theta. Using spin plane observations alone, a significant uncertainty occurs in the determination of Theta. Nevertheless, for whistler waves observed downstream of several interplanetary shocks by the Ulysses plasma wave experiment we find that Theta is highly oblique. We suggest that the analysis of wave amplitude ratios used in conjunction with traditional stability analyses provide a promising tool for determining which particle distributions and resonances are likely to be dominant contributors to wave growth.

Lengyel-Frey, D.↗
DOE OSTI2015

Quasi-two-dimensional spin and phonon excitations in La 1.965 Ba 0.035 CuO 4

Here, we present time-of-fight inelastic neutron scattering measurements of La 1.965 Ba 0.035 CuO 4 (LBCO), a lightly doped member of the high temperature superconducting La-based cuprate family. By using time-of-flight neutron instrumentation coupled with single crystal sample rotation we obtain a four-dimensional data set (three Q and one energy) that is both comprehensive and spans a large region of reciprocal space. Our measurements identify rich structure in the energy dependence of the highly dispersive spin excitations, which are centered at equivalent (1/2, 1/2, L) wave-vectors. These structures correlate strongly with several crossings of the spin excitations with the lightly dispersive phonons found in this system. These eects are signicant and account for on the order of 25% of the total inelastic scattering for energies between ≈5 and 40meV at low |Q|. Interestingly, this scattering also presents little or no L-dependence. As the phonons and dispersive spin excitations centred at equivalent (1/2, 1/2, L) wave-vectors are common to all members of La-based 214 copper oxides, we conclude such strong quasi-two dimensional scattering enhancements are likely to occur in all such 214 families of materials, including those concentrations corresponding to superconducting ground states. Such a phenomenon appears to be a fundamental characteristic of these materials and is potentially related to superconducting pairing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

“Nodal Gap” induced by the incommensurate diagonal spin density modulation in underdoped high- T c superconductors

Recently it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the d -wave nodal lines (nodal gap) contrasts the common understanding of the d -wave pairing symmetry, which challenges the present theories for the high- T c superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high- T c superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2008

Binary Black Hole Mergers, Gravitational Waves, and LISA

The final merger of comparable mass binary black holes is expected to be the strongest source of gravitational waves for LISA. Since these mergers take place in regions of extreme gravity, we need to solve Einstein's equations of general relativity on a computer in order to calculate these waveforms. For more than 30 years, scientists have tried to compute black hole mergers using the methods of numerical relativity. The resulting computer codes have been plagued by instabilities, causing them to crash well before the black holes in the binary could complete even a single orbit. Within the past few years, however, this situation has changed dramatically, with a series of remarkable breakthroughs. We will present the results of new simulations of black hole mergers with unequal masses and spins, focusing on the gravitational waves emitted and the accompanying astrophysical "kicks." The magnitude of these kicks has bearing on the production and growth of supermassive black holes during the epoch of structure formation, and on the retention of black holes in stellar clusters.

Centrella, Joan↗
DOE OSTI2015

Relation between magnetization and Faraday angles produced by ultrafast spin-flip processes within the three-level Λ-type system

Ultrafast magneto-optical (MO) experiments constitute a powerful tool to explore the magnetization dynamics of diverse materials. Over the last decade, there have been many theoretical and experimental developments on this subject. However, the relation between the magnetization dynamics and the transient MO response still remains unclear. In this work, we calculate the magnetization of a material, as well as the magneto-optical rotation and ellipticity angles measured in a single-beam experiment. Then, we compare the magnetization to the MO response. The magnetic material is modeled by a three-level Λ-type system, which represents a simple model to describe MO effects induced by an ultrafast laser pulse. Our calculations use the density matrix formalism, while the dynamics of the system is obtained by solving the Lindblad equation taking into account population relaxation and dephasing processes. Furthermore, we consider the Faraday rotation of the optical waves that simultaneously causes spin-flip. We show that the Faraday angles remain proportional to the magnetization only if the system has reached the equilibrium-state, and that this proportionality is directly related to the population and coherence decay rates. For the non-equilibrium situation, the previous proportionality relation is no longer valid. We show that our model is able to interpret some recent experimental results obtained in a single-pulse experiment. We further show that, after a critical pulse duration, the decrease of the ellipticity as a function of the absorbed energy is a characteristic of the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Electron spin-interaction effects on the ponderomotive magnetization and radiation in degenerate quantum plasmas

The spin interaction effects on the Karpman-Washimi ponderomotive magnetization are investigated in quantum plasmas. The induced Karpman-Washimi magnetization and cyclotron frequency due to the ponderomotive interaction are obtained as functions of the electron quantum wave length, Fermi wave number, wave frequency, and wave number. It is found that the spin interaction correction significantly enhances the Karpman-Washimi magnetization. It is also found the Karpman-Washimi magnetization increases with increasing Fermi wave number. In addition, it is found that the spin correction effect strongly enhances the radiation spectrum. It would be expected that the Karpman-Washimi interaction can be a possible terahertz radiation mechanism in a quantum plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Acoustically assisted spin-transfer-torque switching of nanomagnets: An energy-efficient hybrid writing scheme for non-volatile memory

We show that the energy dissipated to write bits in spin-transfer-torque random access memory can be reduced by an order of magnitude if a surface acoustic wave (SAW) is launched underneath the magneto-tunneling junctions (MTJs) storing the bits. The SAW-generated strain rotates the magnetization of every MTJs' soft magnet from the easy towards the hard axis, whereupon passage of a small spin-polarized current through a target MTJ selectively switches it to the desired state with > 99.99% probability at room temperature, thereby writing the bit. The other MTJs return to their original states at the completion of the SAW cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Trimers in the resonant (2+1)-fermion problem on a narrow Feshbach resonance: Crossover from Efimovian to hydrogenoid spectrum

We study the quantum three-body free-space problem of two same-spin-state fermions of mass m interacting with a different particle of mass M, on an infinitely narrow Feshbach resonance with infinite s-wave scattering length. This problem is made interesting by the existence of a tunable parameter, the mass ratio {alpha}=m/M. By a combination of analytical and numerical techniques, we obtain a detailed picture of the spectrum of three-body bound states, within each sector of fixed total angular momentum l. For {alpha} increasing from 0, we find that the trimer states first appear at the l-dependent Efimovian threshold {alpha}{sub c}{sup (l)}, where the Efimov exponent s vanishes, and that the entire trimer spectrum (starting from the ground trimer state) is geometric for {alpha} tending to {alpha}{sub c}{sup (l)} from above, with a global energy scale that has a finite and nonzero limit. For further increasing values of {alpha}, the least bound trimer states still form a geometric spectrum, with an energy ratio exp(2{pi}/|s|) that becomes closer and closer to unity, but the most bound trimer states deviate more and more from that geometric spectrum and eventually form a hydrogenoid spectrum.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Multi-messenger tests for fast-spinning newborn pulsars embedded in stripped-envelope supernovae

Fast-spinning strongly magnetized newborn neutron stars (NSs), including nascent magnetars, are popularly implemented as the engine of luminous stellar explosions. Here, we consider the scenario that they power various stripped-envelope (SE) supernovae (SNe), not only superluminous SNe Ic but also broad-line (BL) SNe Ibc and possibly some ordinary SNe Ibc. This scenario is also motivated by the hypothesis that Galactic magnetars largely originate from fast-spinning NSs as remnants of SE SNe. By consistently modeling the energy injection from magnetized wind and {sup 56}Ni decay, we show that proto-NSs with ≳10 ms rotation and a poloidal magnetic field of B{sub dip}≳5×10{sup 14} G can be harbored in ordinary SNe Ibc. On the other hand, millisecond proto-NSs can solely power BL SNe Ibc if they are born with B{sub dip}≳5×10{sup 14} G and superluminous SNe Ic with B{sub dip}≳10{sup 13} G. Then, we study how multi-messenger emission can be used to discriminate such pulsar-driven SN models from other competitive scenarios. First, high-energy X-ray and gamma-ray emission from embryonic pulsar wind nebulae can probe the underlying newborn pulsar. Follow-up observations of SE SNe using NuSTAR ∼ 50--100 days after the explosion are strongly encouraged for nearby objects. We also discuss possible effects of gravitational waves (GWs) on the spin-down of proto-NSs. If millisecond proto-NSs with B{sub dip}<a few×10{sup 13} G emit GWs through, e.g., non-axisymmetric rotation deformed by the inner toroidal fields of B{sub t}≳10{sup 16} G, the GW signal can be detectable from ordinary SNe Ibc in the Virgo cluster by Advanced LIGO, Advanced Virgo, and KAGRA.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Wave functions and mass spectrum for a system of two relativistic spinor quarks coupled by a chromodynamical interaction

Exact solutions of relativistic quasipotential equations in the configuration representation were found for a system of two spin-1/2 quarks interacting via a Coulomb-like chromodynamical potential. Quantization conditions were found for the pseudoscalar, pseudovector, and vector cases. The present analysis was performed within the Hamiltonian formulation of quantum field theory via a transition to the relativistic configuration representation for the case of two relativistic spin-1/2 quarks of equal mass.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Hidden spin current in doped Mott antiferromagnets

We investigate the nature of doped Mott insulators using exact diagonalization and density matrix renormalization group methods. Persistent spin currents are revealed in the ground state, which are concomitant with a nonzero total momentum or angular momentum associated with the doped hole. The latter determines a nontrivial ground state degeneracy. By further making superpositions of the degenerate ground states with zero or unidirectional spin currents, we show that different patterns of spatial charge and spin modulations will emerge. Here, such anomaly persists for the odd numbers of holes, but the spin current, ground state degeneracy, and charge/spin modulations completely disappear for even numbers of holes, with the two-hole ground state exhibiting a d-wave symmetry. An understanding of the spin current due to a many-body Berry-like phase and its influence on the momentum distribution of the doped holes will be discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Magnetic fluctuations and superconducting properties of CaKFe 4 As 4 studied by As 75 NMR

In this paper, we report 75 As nuclear magnetic resonance (NMR) studies on a new iron-based superconductor, CaKFe 4 As 4 , with T c = 35 K. 75 As NMR spectra show two distinct lines corresponding to the As(1) and As(2) sites close to the K and Ca layers, respectively, revealing that K and Ca layers are well ordered without site inversions. We found that nuclear quadrupole frequencies ν Q of the As(1) and As(2) sites show an opposite temperature T dependence. Nearly T independent behavior of the Knight shifts K is observed in the normal state, and a sudden decrease in K in the superconducting (SC) state suggests spin-singlet Cooper pairs. 75 As spin-lattice relaxation rates 1/T 1 show a power-law T dependence with different exponents for the two As sites. The isotropic antiferromagnetic spin fluctuations characterized by the wave vector q = (π, 0) or (0, π) in the single-iron Brillouin zone notation are revealed by 1/T 1 T and K measurements. Such magnetic fluctuations are necessary to explain the observed temperature dependence of the 75 As quadrupole frequencies, as evidenced by our first-principles calculations. Finally, in the SC state, 1/T 1 shows a rapid decrease below T c without a Hebel-Slichter peak and decreases exponentially at low T, consistent with an s ± nodeless two-gap superconductor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Spin and charge thermopower effects in the ferromagnetic graphene junction

Using wave function matching approach and employing the Landauer-Buttiker formula, a ferromagnetic graphene junction with temperature gradient across the system is studied. We calculate the thermally induced charge and spin current as well as the thermoelectric voltage (Seebeck effect) in the linear and nonlinear regimes. Our calculation revealed that due to the electron-hole symmetry, the charge Seebeck coefficient is, for an undoped magnetic graphene, an odd function of chemical potential while the spin Seebeck coefficient is an even function regardless of the temperature gradient and junction length. We have also found with an accurate tuning external parameter, namely, the exchange filed and gate voltage, the temperature gradient across the junction drives a pure spin current without accompanying the charge current. Another important characteristic of thermoelectric transport, thermally induced current in the nonlinear regime, is examined. It would be our main finding that with increasing thermal gradient applied to the junction the spin and charge thermovoltages decrease and even become zero for non zero temperature bias.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Analysis of the reaction π{sup −}Be → π{sup −}π{sup 0}π{sup 0}Be at VES

We present the results of the analysis of diffractive reaction π{sup −}Be → π{sup −}π{sup 0}π{sup 0}Be measured with upgraded VES detector with the statistics of about 16 · 10{sup 6} events. The mass-independent partial-wave analysis is performed using set of 70 partial waves corresponding to natural-parity exchange mechanism and restricting the rank of spin-density matrix N{sub r} = 1. The data is divided into 40 MeV m(3π) bins and in 10 intervals of momentum transfer squared t′. The sub-density-matrix of mass independent PWA is subject to further mass dependent fits using Breit-Wigner resonant terms and coherent non-resonant backgrounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2024

Adiabatic Gravitational Waveform Model for Compact Objects Undergoing Quasi-Circular Inspirals Into Rotating Massive Black Holes

We present bhpwave: a new python-based, open-source tool for generating the gravitational waveforms of stellar-mass compact objects undergoing quasicircular inspirals into rotating massive black holes. These binaries, known as extreme-mass-ratio inspirals (EMRIs), are exciting mHz gravitational wave sources for future space-based detectors such as the Laser Interferometer Space Antenna (LISA). Relativistic models of EMRI gravitational wave signals are necessary to unlock the full scientific potential of mHz detectors, yet few open-source EMRI waveform models exist. Thus we built bhpwave, which uses the adiabatic approximation from black hole perturbation theory to rapidly construct gravitational waveforms based on the leading-order inspiral dynamics of the binary. In this work, we present the theoretical and numerical foundations underpinning bhpwave. We also demonstrate how bhpwave can be used to assess the impact of EMRI modeling errors on LISA gravitational wave data analysis. In particular, we find that for retrograde orbits and slowly spinning black holes we can mismodel the gravitational wave phasing by as much as ∼10 radians without significantly biasing EMRI parameter estimation.

Zachary Nasipak↗