Simulations of non-local spin interaction in atomic magnetometers using LANL’s D-Wave 2X
This report describes findings from LANL's D-Wave 2X simulation study.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
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Results for “spin waves”
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Studies of magnetostriction and spin polarized band structures of rare earth intermetallics
Anisotropic magnetostriction measurements of R6Fe23, R = (Tb, Dy, Ho, and Er) were carried out from 77 K to room temperature. Magnetic fields up to 2.1 Tesla were applied. All the compounds exhibited large magnetostrictions at 77 K, the largest effect being obtained for Tb6Fe23. Saturation magnetostriction values for the compounds were also determined for 77 K and room temperature. Results of the temperature dependence of magnetostriction for Er6Fe23 are in good agreement with Callen and Callen's single ion theory. Therefore, the main sources of magnetostriction in this compound is the Er ion. The spin-up and spin-down electronic energy bands, the density of states and the magnetic moments of YCo5, SmCo5, and GdCo5 were calculated by the spin polarized augmented plane wave technique. The calculations obtained show the origin of the moment, provide good estimates of its magnitude and variation, and the reasons for those variations. They also show the important role of partial charge transfer and of d-d electronic coupling. Calculations for LaNi5 and GdNi5 systems are discussed.
Wallace, W. E.↗
Enhancing or suppressing the spin Hall effect of light in layered nanostructures
The spin Hall effect (SHE) of light in layered nanostructures is investigated theoretically in this paper. A general propagation model describing the spin-dependent transverse splitting of wave packets in the SHE of light is established from the viewpoint of classical electrodynamics. We show that the transverse displacement of the wave-packet centroid can be tuned to either a negative or a positive value, or even zero, by just adjusting the structure parameters, suggesting that the SHE of light in layered nanostructures can be enhanced or suppressed in a desired way. The inherent physics behind this interesting phenomenon is attributed to the optical Fabry-Perot resonance. We believe that these findings will open the possibility for developing new nanophotonic devices.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Limiting Rotation Rate of Neutron Stars from Crust Breaking and Gravitational Waves
Abstract Neutron stars are not observed to spin faster than about half their breakup rate. This limiting rotational frequency may be related to the strength of their crusts. As a star spins up from accretion, centrifugal forces stress the crust. We perform finite-element simulations of rotating neutron stars and find that the crust fails at rotation rates about half the breakup rate. Given uncertainties in microphysics, we have not determined the crust configuration after this failure. Instead, we argue that the crust may fail in an asymmetric way and could produce a configuration with a significant ellipticity (fractional difference in moments of inertia). If the ellipticity is large, a rotating star will radiate gravitational waves that may limit further spin-up. These stars may be promising sources for LIGO/VIRGO and next-generation gravitational-wave detectors.
Morales, J. A.↗
Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits
Optically addressable molecular qubits based on spin-flip (SF) emissive transitions are promising candidates for quantum technologies due to their sharp luminescence lines and tunable optical-spin interfaces. Yet, the microscopic mechanisms controlling the spin-flip radiative lifetime of SF emitters, a key property for efficient spin readout, remain largely unexplored. Here, we present a computational study of several Cr 4+ and Mo 4+ pseudotetrahedral molecular qubits, and we identify chemical and structural features that influence the transition dipole moment associated with the SF emission, which, in turn, governs the SF radiative lifetime. We find that the magnitude of the dipole moment is governed by the multireference character of the spin-flip excited-state wave function, which can be modulated by tuning the energy separation between the d orbitals of the metal and the spin-pairing energy. Both parameters are sensitive to molecular symmetry, metal–ligand bond covalency, and bond anisotropy and leave room for modulation via ligand and metal design, as well as applied strain, which is relevant for sensing applications. Our findings provide a mechanistic framework for understanding and tuning the spin-flip radiative behavior of molecular qubits and SF emitters that may guide future advances in quantum information science.
molecular qubits↗
General framework for calculating spin–orbit couplings using spinless one-particle density matrices: Theory and application to the equation-of-motion coupled-cluster wave functions
Standard implementations of nonrelativistic excited-state calculations compute only one component of spin multiplets (i.e., Ms = 0 triplets); however, matrix elements for all components are necessary for deriving spin-dependent experimental observables. Wigner–Eckart’s theorem allows one to circumvent explicit calculations of all multiplet components. We generate all other spin–orbit matrix elements by applying Wigner–Eckart’s theorem to a reduced one-particle transition density matrix computed for a single multiplet component. In addition to computational efficiency, this approach also resolves the phase issue arising within Born–Oppenheimer’s separation of nuclear and electronic degrees of freedom. A general formalism and its application to the calculation of spin–orbit couplings using equation-of-motion coupled-cluster wave functions are presented. The two-electron contributions are included via the mean-field spin–orbit treatment. Intrinsic issues of constructing spin–orbit mean-field operators for open-shell references are discussed, and a resolution is proposed. The method is benchmarked by using several radicals and diradicals. The merits of the approach are illustrated by a calculation of the barrier for spin inversion in a high-spin tris(pyrrolylmethyl)amine Fe(II) complex.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Study of spatial spin-modulated structures by Mössbauer spectroscopy using SpectrRelax
SpectrRelax is an application for analysis and fitting of absorption and emission Mössbauer spectra. It includes a large selection of static and relaxation spectrum models, and allows fitting and searching for optimal model parameters. Recently, we have added new models for Mössbauer spectra of nuclides in spatial spin modulated structures. In these structures, spin density or direction changes in a periodic way along a single direction, and this wave is incommensurate with the underlying lattice. The models include Spin/Charge density wave, where the shape of this wave is represented as a sum of odd harmonics, Anharmonic spin modulation where the spin direction has a cycloidal type modulation, and a Spiral-like spin structure, in which magnetic moments rotate in a plane perpendicular to the wave propagation vector, forming a spiral.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Communication: Three-electron coalescence points in two and three dimensions
The form of the wave function at three-electron coalescence points is examined for several spin states using an alternative method to the usual Fock expansion. We find that, in two- and three-dimensional systems, the non-analytical nature of the wave function is characterized by the appearance of logarithmic terms, reminiscent of those that appear as both electrons approach the nucleus of the helium atom. The explicit form of these singularities is given in terms of the interelectronic distances for a doublet and two quartet states of three electrons in a harmonic well.
74 ATOMIC AND MOLECULAR PHYSICS↗
The response of plasma density to breaking inertial gravity wave in the lower regions of ionosphere
We present a three-dimensional numerical study for the E and lower F region ionosphere coupled with the neutral atmosphere dynamics. This model is developed based on a previous ionospheric model that examines the transport patterns of plasma density given a prescribed neutral atmospheric flow. Inclusion of neutral dynamics in the model allows us to examine the charge-neutral interactions over the full evolution cycle of an inertial gravity wave when the background flow spins up from rest, saturates and eventually breaks. Using Lagrangian analyses, we show the mixing patterns of the ionospheric responses and the formation of ionospheric layers. The corresponding plasma density in this flow develops complex wave structures and small-scale patches during the gravity wave breaking event.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Translation invariant time-dependent solutions to massive gravity
Homogeneous time-dependent solutions of massive gravity generalise the plane wave solutions of the linearised Fierz-Pauli equations for a massive spin-two particle, as well as the Kasner solutions of General Relativity. We show that they also allow a clear counting of the degrees of freedom and represent a simplified framework to work out the constraints, the equations of motion and the initial value formulation. We work in the vielbein formulation of massive gravity, find the phase space resulting from the constraints and show that several disconnected sectors of solutions exist some of which are unstable. The initial values determine the sector to which a solution belongs. Classically, the theory is not pathological but quantum mechanically the theory may suffer from instabilities. The latter are not due to an extra ghost-like degree of freedom.
79 ASTRONOMY AND ASTROPHYSICS↗
Long-lived periodic revivals of coherence in an interacting Bose-Einstein condensate
We observe the coherence of an interacting two-component Bose-Einstein condensate (BEC) surviving for seconds in a trapped Ramsey interferometer. Mean-field-driven collective oscillations of two components lead to periodic dephasing and rephasing of condensate wave functions with a slow decay of the interference fringe visibility. We apply spin echo synchronous with the self-rephasing of the condensate to reduce the influence of state-dependent atom losses, significantly enhancing the visibility up to 0.75 at the evolution time of 1.5 s. Mean-field theory consistently predicts higher visibility than experimentally observed values. We quantify the effects of classical and quantum noise and infer a coherence time of 2.8 s for a trapped condensate of 5.5x10{sup 4} interacting atoms.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Charge Density Wave and Ferromagnetism in Intercalated CrSBr
In materials with 1D electronic bands, electron–electron interactions can produce intriguing quantum phenomena, including spin-charge separation and charge density waves (CDW). Most of these systems, however, are non-magnetic, motivating a search for anisotropic materials where the coupling of charge and spin may affect emergent quantum states. Here, in this study, chemical intercalation of the van der Waals magnetic semiconductor CrSBr yields Li 0.17(2) (tetrahydrofuran) 0.26(3) CrSBr, which possesses an electronically driven quasi-1D CDW with an onset temperature above room temperature. Concurrently, electron doping increases the magnetic ordering temperature from 132 to 200 K and switches its interlayer magnetic coupling from antiferromagnetic to ferromagnetic. The spin-polarized nature of the anisotropic bands that give rise to this CDW enforces an intrinsic coupling of charge and spin. The coexistence and interplay of ferromagnetism and charge modulation in this exfoliatable material provide a promising platform for studying tunable quantum phenomena across a range of temperatures and thicknesses.
2D magnets↗
s -wave scattering lengths for the 7 $\hbox{Be} +$ p system from an R -matrix analysis
The astrophysical S factor for the radiative proton capture reaction on Be 7 ( S 17 ) at low energies is affected by the s -wave scattering lengths. Herein, we report the measurement of elastic and inelastic scattering cross sections for the Be 7 + p system in the center-of-mass energy range 0.474–2.740 MeV and center-of-mass angular range 70 ° – 150 ° . A radioactive Be 7 beam produced at Oak Ridge National Laboratory's (ORNL) Holifield Radioactive Ion Beam Facility was accelerated and bombarded a thin polypropylene ( CH 2 ) n target. Scattered ions were detected in the segmented Silicon Detector Array. Using an R -matrix analysis of ORNL and Louvain-la-Neuve cross-section data, the s -wave scattering lengths for channel spins 1 and 2 were determined to be 17 . 34 – 1.33 + 1.11 and – 3 . 18 – 0.50 + 0.55 fm, respectively. The uncertainty in the s -wave scattering lengths reported in this work is smaller by a factor of 5–8 compared to the previous measurement, which may reduce the overall uncertainty in S 17 at zero energy. The level structure of B 8 is discussed based upon the results from this work. Evidence for the existence of 0 + and 2 + levels in B 8 at 1.9 and 2.21 MeV, respectively, is observed.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Quantum Monte Carlo with variable spins: Fixed-phase and fixed-node approximations
We study several aspects of the recently introduced fixed-phase spinor diffusion Monte Carlo method, in particular, its relation to the fixed-node method and its potential use as a general approach for electronic structure calculations. We illustrate constructions of spinor-based wave functions with the full space-spin symmetry without assigning up or down spin labels to particular electrons, effectively “complexifying” even ordinary real-valued wave functions for Hamiltonians without spin terms. Interestingly, with proper choice of the simulation parameters and spin variables, such fixed-phase calculations enable one to reach also the fixed-node limit. The fixed-phase approximation has several desirable properties when compared to the fixed-node approximation. The fixed-phase solution provides a straightforward interpretation as the lowest bosonic state in a given effective potential generated by the many-body approximate phase, whereas nodal boundary conditions are defined through less intuitive and complicated hypersurfaces with one dimension less than the original configuration space. In addition, the divergences of the local energy and drift at real wave function nodes are smoothed out to lower dimensionality when the wave function is complexified, thus decreasing the variation of sampled quantities and eliminating artificial nodal domain issues that can occur in the fixed-node formalism. We illustrate some of these properties on calculations of selected first-row systems that recover the fixed-node results with quantitatively similar levels of the corresponding biases. At the same time, the fixed-phase approach opens new possibilities for more general trial wave functions with further opportunities for increasing accuracy in practical calculations.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Enhancement of spin coherence in a spin-1 Bose-Einstein condensate by dynamical decoupling approaches
We study the enhancement of spin coherence with periodic, concatenated, or Uhrig dynamical decoupling N-pulse sequences in a spin-1 Bose-Einstein condensate, where the intrinsic dynamical instability in such a ferromagnetically interacting condensate causes spin decoherence and eventually leads to a multiple spatial-domain structure or a spin texture. Our results show that all three sequences successfully enhance the spin coherence by pushing the wave vector of the most unstable mode in the condensate to a larger value. Among the three sequences with the same number of pulses, the concatenated one shows the best performance in preserving the spin coherence. More interestingly, we find that all three sequences exactly follow the same enhancement law, k{sub -}T{sup 1/2}=c, with k{sub -} the wave vector of the most unstable mode, T the sequence period, and c a sequence-dependent constant. Such a law between k{sub -} and T is also derived analytically for an attractive scalar Bose-Einstein condensate subjected to a periodic dynamical decoupling sequence.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Dipolar Spin Ice Regime Proximate to an All-In-All-Out Néel Ground State in the Dipolar-Octupolar Pyrochlore Ce 2 Sn 2 O 7
The dipolar-octupolar (DO) pyrochlores, R 2 M 2 O 7 ( R = Ce , Sm , Nd ), are key players in the search for realizable novel quantum spin liquid (QSL) states as a large parameter space within the DO pyrochlore phase diagram is theorized to host QSL states of both dipolar and octupolar nature. New single crystals and powders of Ce 2 Sn 2 O 7 , synthesized by hydrothermal techniques, present an opportunity for a new characterization of the exchange parameters in Ce 2 Sn 2 O 7 using the near-neighbor X Y Z model Hamiltonian associated with DO pyrochlores. Utilizing quantum numerical linked cluster expansion fits to heat capacity and magnetic susceptibility measurements, and classical Monte Carlo calculations to the diffuse neutron diffraction of the new hydrothermally grown Ce 2 Sn 2 O 7 samples, we place Ce 2 Sn 2 O 7 ’s ground state within the ordered dipolar all-in-all-out (AIAO) Néel phase, with quantum Monte Carlo calculations showing a transition to long-range order at temperatures below those accessed experimentally. Indeed, our new neutron diffraction measurements on the hydrothermally grown Ce 2 Sn 2 O 7 powders show a broad signal at low scattering wave vectors, reminiscent of a spin ice, in striking contrast from previous powder neutron diffraction on samples grown from solid-state synthesis, which found diffuse scattering at high scattering wave vectors associated with magnetic and suggested an octupolar quantum spin ice state. We conclude that new hydrothermally grown Ce 2 Sn 2 O 7 samples host a finite-temperature proximate dipolar spin ice phase, above the expected transition to AIAO Néel order. Published by the American Physical Society 2024
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Reconstructing the Wave Function of Magnetic Topological Insulators MnBi 2 Te 4 and MnBi 4 Te 7 Using Spin-Resolved Photoemission
Despite their importance for exotic quantum effects, the surface electronic structure of magnetic topological insulators MnBi 2 Te 4 and MnBi 4 Te 7 remains poorly understood. Using high-efficiency spin- and angle-resolved photoemission spectroscopy, we directly image the spin-polarization and orbital character of the surface states in both compounds and map our observations onto a model wave function to describe the complex spin-orbital texture, which solidifies our understanding of the surface band structure by establishing the single-band nature of the most prominent states. Most importantly, our analysis reveals a new mechanism for reducing the magnetic gap of the topological surface states based on the orbital composition of the wave function.
Han, Xue [SLAC National Accelerator Laboratory (SL↗
The application of masers to physical measurements
Traveling wave maser for direct measurement of changes in ruby spin temperature for various perturbations
RUBY↗