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At least 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

EuAuSb: An odd-parity helical variation of altermagnetism

EuAuSb is a triangular-lattice Dirac semimetal in which a topological Hall effect has been observed to develop in association with a magnetically ordered phase. Our single-crystal neutron diffraction measurements have identified an incommensurate helical order in which individual ferromagnetic Eu 2+ layers rotate in-plane by ∼ 120° from one layer to the next. An in-plane magnetic field distorts the incommensurate order, eventually leading to a first order transition to a state that is approximately commensurate and that is continuously polarized as the bulk magnetization approaches saturation. From an analysis of the magnetic diffraction intensities versus field, we find evidence for a dip in the ordered in-plane moment at the same field where the topological Hall effect is a maximum, and we propose that this is due to field-induced quantum spin fluctuations. Our electronic structure calculations yield exchange constants compatible with the helical order and show that the bands near the Fermi level lose their spin degeneracy via a mechanism similar to that in the collinear altermagnets. In conclusion, we find that, unlike the even symmetry seen in the altermagnets, the spin splitting in EuAuSb has odd-wave symmetry similar to that recently found in a number of coplanar magnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Low-energy antiferromagnetic spin fluctuations limit the coherent superconducting gap in cuprates

Motivated by recent attention to a potential antiferromagnetic quantum critical point at x c ~ 0.19, we have used inelastic neutron scattering to investigate the low-energy spin excitations in crystals of La 2–x Sr x CuO 4 bracketing x c . We observe a peak in the normal-state spin-fluctuation weight at ~ 20 meV for both x = 0.21 and 0.17, inconsistent with quantum critical behavior. The presence of the peak raises the question of whether low-energy spin fluctuations limit the onset of superconducting order. Empirically evaluating the spin gap Δ spin in the superconducting state, we find that Δ spin is equal to the coherent superconducting gap Δ c determined by electronic spectroscopies. To test whether this is a general result for other cuprate families, we have checked through the literature and find that Δ c ≤ Δ spin for cuprates with uniform d-wave superconductivity. Furthermore, we discuss the implications of this result.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Study of excited Ξ states in ψ ( 3686 ) → K − Λ Ξ ¯ + + c . c .

Based on a sample of ( 448.1 ± 2.9 ) × 10 6 ψ ( 3686 ) events collected with the BESIII detector at BEPCII, the decays of ψ ( 3686 ) → K − Λ Ξ ¯ + + c . c . with Ξ ¯ + → Λ ¯ π + , Λ ¯ → p ¯ π + are studied. We investigate the two excited resonances, Ξ ( 1690 ) − and Ξ ( 1820 ) − , which are each observed with large significance ( ≫ 10 σ ) in the K − Λ invariant mass distributions. A partial wave analysis is performed, and the spin-parities of Ξ ( 1690 ) − and Ξ ( 1820 ) − are measured to be 1 2 − and 3 2 − , respectively. The masses, widths, and product branching fractions of Ξ ( 1690 ) − and Ξ ( 1820 ) − are also measured. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2015

Quantum phase transition and protected ideal transport in a Kondo chain

We study the low energy physics of a Kondo chain where electrons from a one-dimensional band interact with magnetic moments via an anisotropic exchange interaction. It is demonstrated that the anisotropy gives rise to two different phases which are separated by a quantum phase transition. In the phase with easy plane anisotropy, Z2 symmetry between sectors with different helicity of the electrons is broken. As a result, localization effects are suppressed and the dc transport acquires (partial) symmetry protection. This effect is similar to the protection of the edge transport in time-reversal invariant topological insulators. The phase with easy axis anisotropy corresponds to the Tomonaga-Luttinger liquid with a pronounced spin-charge separation. The slow charge density wave modes have no protection against localizatioin.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

On second-harmonic generation in nonuniformly magnetized media

This paper presents a theoretical study of new effects of double-frequency optical signal generation in magnetic media with a nonuniform magnetization distribution. The study is based on the hydrodynamic approximation of the motion of conduction electrons in the field of an electromagnetic wave and equations for the mean electron spin. Within this approach, the mechanisms of the toroidal moment effect, which was experimentally discovered earlier in a system of magnetic particles with a vertical magnetization distribution as well as in a multilayered magnetic system (which is a collinear nonuniform magnetic system), are demonstrated. A new effect that appears due to the presence of equilibrium spin currents in a nonuniform magnetic system is studied in detail. This effect was predicted from the symmetry and can occur only in noncollinearly magnetized media. It is shown that this effect has a resonance nature with a resonance at a pump frequency equal to the plasma frequency of conduction electrons. Estimates of the susceptibility at the double frequency for the parameters of nickel and the typical scale of variation in the magnetization, which is equal to 10 nm, show that the susceptibility near the frequency of the plasma resonance at the chosen parameters is on the order of 10{sup –9} esu, which holds up a hope of the experimental detection of this effect.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Pseudospin-1 Physics of Photonic Crystals

We review some recent progress in the exploration of pseudospin-1 physics using dielectric photonic crystals (PCs). We show some physical implications of the PCs exhibiting an accidental degeneracy induced conical dispersion at the Γ point, such as the realization of zero refractive index medium and the zero Berry phase of a loop around the nodal point. The photonic states of such PCs near the Dirac-like point can be described by an effective spin-orbit Hamiltonian of pseudospin-1. The wave propagation in the positive, negative, and zero index media can be unified within a framework of pseudospin-1 description. A scale change in PCs results in a rigid band shift of the Dirac-like cone, allowing for the manipulation of waves in pseudospin-1 systems in much the same way as applying a gate voltage in pseudospin-1/2 graphene. The transport of waves in pseudospin-1 systems exhibits many interesting phenomena, including super Klein tunneling, robust supercollimation, and unconventional Anderson localization. The transport properties of pseudospin-1 systems are distinct from their counterparts in pseudospin-1/2 systems, which will also be presented for comparison.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Spin projection of single-determinant wavefunctions

The components of the one- and two-particle density matrices resulting from spin projection of a single-determinant wave function are rederived by the method of expansion in terms of the natural orbitals of charge density, and the results are found to diverge from those given by Harriman and Sando for the two-particle case. The theory is generalized to include molecules with unequal numbers of electrons and basis orbitals and is applied to a number of organic molecules and ions. The correctness and internal consistency of the results argue in favor of the modification described.

Phillips, D. H.↗
NASA NTRS1979

Ab initio studies of the electronic structure of UF6, UF6/+/, and UF6/-/ using relativistic effective core potentials

The paper presents ab initio calculations performed on the electronic states of UF6, UF6(+), and UF6(-) using a relativistic effective core potential (ECP) for uranium and a nonrelativistic ECP for fluorine. In most of the calculations 56 valence electrons are treated explicitly using a contracted (3s 3p 2d 2f/2s2p) Gaussian basis. It is noted that various ECP's were explored, but all yield an overall charge density of U(+2.4)/F(-0.4)/6. In addition, the bonding in the ground state of UF6 is discussed. SCF and CI calculations on UF6(+) are compared with the experimental photoelectron spectrum and with previous scattered wave calculations. Further, the role of spin-orbit coupling in the states of UF6(+) and UF6(-) is covered. Finally, it is concluded that the calculated electron affinity of UF6 (7.1 eV) is considerably larger than in current experimental estimates, but the relative energies of the states of UF6(-) are in agreement (0.1-0.2 eV) with those of the experiment.

Hay, P. J.↗
DOE OSTI2026

Entanglement suppression for $ΩΩ$ scattering

We study entanglement suppression in $s$-wave $ΩΩ$ scattering, where each baryon has spin $3/2$. By treating the $S$-matrix as a quantum operator acting on the spin states, we quantify its ability to generate entanglement and identify the conditions on the phase shifts of the spin channels that minimize entanglement generation in the system. In $ΩΩ$ scattering, only antisymmetric spin channels are allowed due to Fermi-Dirac statistics. Applying the entanglement-suppression framework to $ΩΩ$ scattering, we find two solutions for the phase shifts: one leading to a spin SU(4) symmetry and the other to a nonrelativistic conformal symmetry. We show that the solution associated with the nonrelativistic conformal symmetry originates from the specific structure of the Clebsch-Gordan coefficients in the $3/2 \otimes 3/2$ system.

Sone, Katsuyoshi [Tokyo Metropolitan U.] (ORCID:00↗
NASA NTRS2011

Gravitational Wave Astrophysics: Opening the New Frontier

The gravitational wave window onto the universe is expected to open in approx. 5 years, when ground-based detectors make the first detections in the high-frequency regime. Gravitational waves are ripples in spacetime produced by the motions of massive objects such as black holes and neutron stars. Since the universe is nearly transparent to gravitational waves, these signals carry direct information about their sources - such as masses, spins, luminosity distances, and orbital parameters, through dense, obscured regions across cosmic time. This article explores gravitational waves as cosmic messengers, highlighting key sources, detection methods, and the astrophysical payoffs across the gravitational wave spectrum.

Centrella, Joan↗
NASA NTRS2011

Gravitational Wave Astrophysics: Opening the New Frontier

The gravitational wave window onto the universe is expected to open in ~ 5 years, when ground-based detectors make the first detections in the high-frequency regime. Gravitational waves are ripples in spacetime produced by the motions of massive objects such as black holes and neutron stars. Since the universe is nearly transparent to gravitational waves, these signals carry direct information about their sources such as masses, spins, luminosity distances, and orbital parameters through dense, obscured regions across cosmic time. This article explores gravitational waves as cosmic messengers, highlighting key sources, detection methods, and the astrophysical payoffs across the gravitational wave spectrum. Keywords: Gravitational wave astrophysics; gravitational radiation; gravitational wave detectors; black holes.

Centrella, Joan↗
DOE OSTI2019

Quantum spin Hall effect in bound states in continuum

Moving the polarization of the incident wave along a meridian of the Poincaré sphere, experimentally we show that the coupling with the fundamental Bloch's surface waves of the mode, provide a spatially coherent, macroscopic spinmomentum locked propagation along the symmetry axes of the PhCM. This novel mechanism of light-spin manipulation enables a versatile implementation of spin-optical structures that may pave the way to novel strategies for light spin technology and photonic multiplatform implementations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Ergodicity breaking and wave-function statistics in disordered interacting systems

We present the study of the structure of many-body eigenfunctions in a one-dimensional disordered spin chain. We discuss the choice of an appropriate basis in the Hilbert space, where the problem can be seen as an Anderson model defined on a high-dimensional non-trivial graph, determined by the many-body Hamiltonian. The comparison with the usual behavior of wave-functions in finite dimensional Anderson localization allows us to put in light the main differences of the many-body case. At high disorder, the typical eigenfunctions do not seem to localize though they occupy a infinitesimal portion of the Hilbert space in the thermodynamic limit. We perform a detailed analysis of the distribution of the wave-function coefficients and their peculiar scaling in the small and large disorder phase. We propose a criterion to identify the position of the transition by looking at the long tails of these distributions. The results coming from exact diagonalization show signs of breaking of ergodicity when the disorder reaches a critical value that agrees with the estimation of the many-body localization transition in the same model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Magnetic order tuned by Cu substitution in Fe 1.1–z Cu z Te

We study the effects of Cu substitution in Fe₁.₁Te, the nonsuperconducting parent compound of the iron-based superconductor, Fe₁₊ y Te₁₋ x Se x , utilizing neutron scattering techniques. It is found that the structural and magnetic transitions, which occur at ~60 K without Cu, are monotonically depressed with increasing Cu content. By 10% Cu for Fe, the structural transition is hardly detectable, and the system becomes a spin glass below 22 K, with a slightly incommensurate ordering wave vector of (0.5–δ, 0, 0.5) with δ being the incommensurability of 0.02, and correlation length of 12 Å along the a axis and 9 Å along the c axis. With 4% Cu, both transition temperatures are at 41 K, though short-range incommensurate order at (0.42, 0, 0.5) is present at 60 K. With further cooling, the incommensurability decreases linearly with temperature down to 37 K, below which there is a first-order transition to a long-range almost-commensurate antiferromagnetic structure. A spin anisotropy gap of 4.5 meV is also observed in this compound. Our results show that the weakly magnetic Cu has a large effect on the magnetic correlations; it is suggested that this is caused by the frustration of the exchange interactions between the coupled Fe spins.

Wen, Jinsheng↗
DOE OSTI2015

Variation of magnetism and half-metallicity in Ru{sub 2}VSi with lattice expansion

Full-potential linearized augmented plane wave method has been employed to investigate the electronic and magnetic properties of Ru{sub 2}VSi Heusler alloy at optimized lattice parameter and in expanded lattice. Present computations predict that Ru{sub 2}VSi has a ferromagnetic ground state with an optimized lattice constant 5.952 Å. The compound in ambient conditions was found to have metallic character. However, increased value of lattice parameter induces 100% spin-polarization in the material at Fermi energy. Further, the band gap tends to increase and the material behaves as pure half-metallic at an increased value of lattice constant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Hot-lines topology and the fate of the spin resonance mode in three-dimensional unconventional superconductors

In the quasi-two-dimensional (quasi-2D) copper- and iron-based superconductors, the onset of superconductivity is accompanied by a prominent peak in the magnetic spectrum at momenta close to the wave-vector of the nearby antiferromagnetic state. Such a peak is well described in terms of a spin resonance mode, i.e., a spin-1 exciton theoretically predicted for quasi-2D superconductors with a sign-changing gap. The same theories, however, indicate that such a resonance mode should be absent in a three-dimensional (3D) system with a spherical Fermi surface. This raises the question of the fate of the spin resonance mode in layered unconventional superconductors that are not strongly anisotropic, such as certain heavy-fermion compounds and potentially the newly discovered nickelate superconductor NdNiO 2 . Here, we use the random phase approximation to calculate the dynamical spin susceptibility of 3D superconductors with a d x 2 –y 2 -wave gap symmetry and corrugated cylindrical-like Fermi surfaces. By varying the out-of-plane hopping anisotropy t z /t, we demonstrate that the appearance of a spin resonance mode is determined by the topology of the hot lines, i.e., lines on the Fermi surface that are connected by the magnetic wave vector. For an in-plane antiferromagnetic wave vector, the hot lines undergo a topological transition from open lines to closed loops at a critical t z /t value. The closed hot lines cross the nodal superconducting lines, making the spin resonance mode overdamped and incoherent. In contrast, for an out-of-plane antiferromagnetic wave vector, the hot lines remain open and the spin resonance mode remains sharp. We discuss the experimental implications of our results for the out-of-plane dispersion of the spin resonance mode and, more generally, for inelastic neutron scattering experiments on unconventional superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interpretation of multiple solutions in fully iterative GF2 and GW schemes using local analysis of two-particle density matrices

Due to the presence of non-linear equations, iterative Green’s function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular solutions was not performed before. In this work, we use two-particle density matrices to investigate local spin and charge correlators that quantify the charge resonance and covalent characters of these solutions. When applied within the unrestricted orbital set, spin correlators elucidate the broken symmetry of the solutions, containing necessary information for building effective magnetic Hamiltonians. Based on GW and GF2 calculations of simple molecules and transition metal complexes, we construct Heisenberg Hamiltonians, four-spin-four-center corrections, and biquadratic spin–spin interactions. These Hamiltonian parameterizations are compared to previous wave-function calculations.

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

Stabilizing effects of oxidation on propagating formation reactions occurring in nanometer-scale metal multilayers

Reactive rare-earth / transition metal multilayers exhibit a variety of complex reaction behaviors depending on surrounding gaseous environment and material design. Small period (< 100 nm bilayer), 5 gm-thick Sc/Ag multilayers undergo self-sustained formation reactions when ignited in air or in vacuum. High-speed videography reveals unstable reaction waves in these samples, characterized by the repeated, transverse passage of narrow, spin bands. Intermediate Sc/Ag designs — with multilayer period between 100 and 200 nm — only react in air. These multilayers exhibit propagating reactions with alternating unstable and stable characteristics. Narrow, spin bands advance the reaction front stepwise. Soon after the passage of a transverse band, a trailing oxidation wave encroaches on the intermetallic reaction front temporarily pushing the stalled wave forward in a uniform manner. Viewed in full, these events repeat giving rise to a new oscillatory behavior. Sc/Ag multilayers having a large period (> 200 nm bilayer) also react exclusively in air but exhibit a different propagating mode. The oxidation of Sc combined with the exothermic reaction of metal species results in continually-stable waves characterized by a smooth wavefront morphology and uniform velocity. The flame temperatures associated with propagating waves are estimated using measured heats of reaction and enthalpy-temperature relationships in order to provide insight into the possible phase transformations that occur during these different exothermic reactions.

36 MATERIALS SCIENCE↗