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Results for “SPIN FLIP”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Optically controlling the competition between spin flips and intersite spin transfer in a Heusler half-metal on sub–100-fs time scales

The direct manipulation of spins via light may provide a path toward ultrafast energy-efficient devices. However, distinguishing the microscopic processes that can occur during ultrafast laser excitation in magnetic alloys is challenging. Here, we study the Heusler compound Co 2 MnGa, a material that exhibits very strong light-induced spin transfers across the entire M-edge. By combining the element specificity of extreme ultraviolet high-harmonic probes with time-dependent density functional theory, we disentangle the competition between three ultrafast light-induced processes that occur in Co 2 MnGa: same-site Co-Co spin transfer, intersite Co-Mn spin transfer, and ultrafast spin flips mediated by spin-orbit coupling. By measuring the dynamic magnetic asymmetry across the entire M-edges of the two magnetic sublattices involved, we uncover the relative dominance of these processes at different probe energy regions and times during the laser pulse. Our combined approach enables a comprehensive microscopic interpretation of laser-induced magnetization dynamics on time scales shorter than 100 femtoseconds.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Phonon-mediated spin-flipping mechanism in the spin ices Dy 2 Ti 2 O 7 and Ho 2 Ti 2 O 7

To understand emergent magnetic monopole dynamics in the spin ices Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , it is necessary to investigate the mechanisms by which spins flip in these materials. Presently there are thought to be two processes: quantum tunneling at low and intermediate temperatures and thermally activated at high temperatures. We identify possible couplings between crystal field and optical phonon excitations and construct a strictly constrained model of phonon-mediated spin flipping that quantitatively describes the high-temperature processes in both compounds, as measured by quasielastic neutron scattering. We support the model with direct experimental evidence of the coupling between crystal field states and optical phonons in Ho 2 Ti 2 O 7 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

High spin flip efficiency at 255GeV for polarized protons in a ring with two full Siberian Snakes

In polarized proton collision experiments, it is highly advantageous to flip the spin of each bunch of protons during the stores to reduce the systematic errors . Experiments done at energies less than 2GeV have demonstrated a spin flip efficiency over 99%. At high energy colliders with Siberian Snakes, a single magnet spin flipper does not work because of t he large spin tune spread and the generation of multiple, overlapping resonances. A more sophisticated spin flipper, constructed of 9-dipole magnets was used to flip the spin in Relativistic Heavy Ion Collider(RHIC). Special optics choice was also used to make the spin tune spread very small. A 97% spin flip efficiency was measured both at 24GeV and 255GeV. Lastly, these results show that efficient spin flipping can be achieved at high energies using a 9-magnet spin flipper.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Numerical modeling of a proton spin-flipping system in the spin transparency mode at an integer spin resonance in JINR's Nuclotron

In this paper we propose a lattice insertion for the Nuclotron ring called a “spin navigator” that can adjust any direction of the proton polarization in the orbital plane using weak solenoids. The polarization control is realized in the spin transparency mode at the energy of 108 MeV, which corresponds to the integer spin resonance γ G = 2. The requirements on the navigator solenoid fields are specified considering the criteria for stability of the spin motion during any manipulation of the polarization direction in an experiment. Additionally, this paper presents the results of numerical modeling of the proton spin dynamics in the Nuclotron ring operated in the spin transparency mode. The verified spin navigator is aimed at an experimental study of a spin-flipping system using the Nuclotron ring. The results are relevant to the NICA (JINR), EIC (BNL) and COSY (FZJ) facilities where the spin transparency mode can be applied for polarization control.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

Many multiconfigurational systems, such as single-molecule magnets, are difficult to study using traditional computational methods due to the simultaneous existence of both spin and spatial degeneracies. In this work, a new approach termed n -spin-flip ionization potential/electron affinity ( n SF-IP or n SF-EA) is introduced which combines the spin-flip method of Anna Krylov with particle-number changing IP/EA methods. We demonstrate the efficacy of the approach by applying it to the strongly correlated N 2 + , as well as several double exchange systems. We also demonstrate that when these systems are well-described by a double exchange model Hamiltonian, only 1SF-IP/EA is required to extract the double exchange parameters and accurately predict energies for the low-spin states. This significantly reduces the computational effort for studying such systems. The results of including additional excitations (using a RAS- n SF-IP/EA scheme) are also researched, with particular emphasis on hole and particle excitations.

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

Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems

Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Spin flip due to the spin–orbit interaction of colliding slow charged particles

The scattering amplitudes of point charged particles is calculated analytically taking into account the spin–orbit interaction. We have considered two cases typical of a hydrogen-like plasma: scattering of an electron by a heavy ion and scattering of an electron by a free electron. The results have been obtained taking into account the ranges of low collision energies smaller than α{sup 2}m{sub e}c{sup 2}, where α is the fine structure constant.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors

Spin-flip in purely organic molecular systems is often described as a forbidden process; however, it is commonly observed and utilized to harvest triplet excitons in a wide variety of organic-material-based applications. Although the initial and final electronic states of the spin-flip between the lowest singlet and lowest triplet excited state are self-evident, the exact process and the role of intermediate states through which spin-flip occurs are still far from being comprehensively determined. Here, via experimental photo-physical investigations in solution combined with first-principles quantum-mechanical calculations, we show that efficient spin-flip in multi-donor-acceptor charge-transfer (CT)-type organic molecular systems involves the critical role of an intermediate triplet excited state that corresponds to a partial molecular structure of the system. Furthermore, our proposed mechanism unifies the understanding of the intersystem crossing mechanism in a wide variety of CT-type molecular systems, opening the way to greater control over the spin-flip rates.

36 MATERIALS SCIENCE↗
DOE OSTI2026

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↗
DOE OSTI2017

Spin wave and spin flip in hexagonal LuMnO 3 single crystal

Manipulation and control of spin wave and spin flip are crucial for future developments of magnonic and spintronic devices. We present that the spin wave in hexagonal LuMnO 3 single crystal can be selectively excited with laser polarization perpendicular to the c -axis of hexagonal LuMnO 3 and photon energy ~1.8 eV. The selective excitation of spin wave also suggests that the spin flip can be selectively controlled in hexagonal manganites. Here, a microscopic model of the spin wave generation correlated with the four-spin-flip in hexagonal manganites is suggested to account for the line-shape of the observed spin wave.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spin-flip, tensor equation-of-motion configuration interaction with a density-functional correction: A spin-complete method for exploring excited-state potential energy surfaces

We revisit the formalism of the spin-adapted, spin-flip (SA-SF) configuration-interaction singles (CIS) method based on a tensor equation-of-motion formalism that affords proper spin eigenstates without sacrificing single-reference simplicity. Matrix elements for SA-SF-CIS are then modified in a manner similar to collinear spin-flip time-dependent density functional theory (SF-TDDFT), to include a DFT exchange-correlation correction. The performance of this method, which we call SA-SF-DFT, is evaluated numerically and we find that it systematically improves the energies of electronic states that exhibit significant spin contamination within the conventional SF-TDDFT approach. The new method cures the state assignment problem that plagues geometry optimizations and ab initio molecular dynamics simulations using traditional SF-TDDFT, without sacrificing computational efficiency, and furthermore provides correct topology at conical intersections, including those that involve the ground state, unlike conventional TDDFT. As such, SA-SF-DFT appears to be a promising method for generating excited-state potential energy surfaces at DFT cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Direct Visualization of Surface Spin-Flip Transition in MnBi 4 Te 7

Here, we report direct visualization of spin-flip transition of the surface layer in antiferromagnet MnBi 4 Te 7 , a natural superlattice of alternating MnBi 2 Te 4 and Bi 2 Te 3 layers, using cryogenic magnetic force microscopy (MFM). The observation of magnetic contrast across domain walls and step edges confirms that the antiferromagnetic order persists to the surface layers. The magnetic field dependence of the MFM images reveals that the surface magnetic layer undergoes a first-order spin-flip transition at a magnetic field that is lower than the bulk transition, in excellent agreement with a revised Mills model. Our analysis suggests no reduction of the order parameter in the surface magnetic layer, implying robust ferromagnetism in the single-layer limit. The direct visualization of surface spin-flip transition not only opens up exploration of surface metamagnetic transitions in layered antiferromagnets, but also provides experimental support for realizing quantized transport in ultrathin films of MnBi 4 Te 7 and other natural superlattice topological magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Measurement of spin-flip probabilities for ultracold neutrons interacting with nickel phosphorus coated surfaces

In this paper, we report a measurement of the spin-flip probabilities for ultracold neutrons interacting with surfaces coated with nickel phosphorus. For 50 μm thick nickel phosphorus coated on stainless steel, the spin-flip probability per bounce was found to be β NiP on SS = (3.3 +1.8, -5.6) X 10 -6 . For 50 μm thick nickel phosphorus coated on aluminum, the spin-flip probability per bounce was found to be β NiP on Al = (3.6 +2.1, -5.9) X 10 -6 . For the copper guide used as reference, the spin flip probability per bounce was found to be β Cu = (6.7 + 5.0, -2.5) X 10 -6 . The results on the nickel phosphorus-coated surfaces may be interpreted as upper limits, yielding β NiP on SS < 6.2 X 10 -6 (90% C.L.) and β NiP on Al < 7.0 X 10 -6 (90% C.L.) for 50 μm thick nickel phosphorus coated on stainless steel and 50 μm thick nickel phosphorus coated on aluminum, respectively. Finally, nickel phosphorus coated stainless steel or aluminum provides a solution when low-cost, mechanically robust, and non-depolarizing UCN guides with a high Fermi potential are needed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computation of the expectation value of the spin operator S^ 2 for the spin-flip Bethe–Salpeter equation

Spin-flip (SF) methods applied to excited-state approaches like the Bethe–Salpeter equation allow access to the excitation energies of open-shell systems, such as molecules and defects in solids. The eigenstates of these solutions, however, are generally not eigenstates of the spin operator S^ 2 . Even for simple cases where the excitation vector is expected to be, for example, a triplet state, the value of S^ 2 may be found to differ from 2.00; this difference is called 'spin contamination'. The expectation values S^ 2 must be computed for each excitation vector, to assist with the characterization of the particular excitation and to determine the amount of spin contamination of the state. Here, our aim is to provide for the first time in the SF methods literature a comprehensive resource on the derivation of the formulas for S^ 2 as well as its computational implementation. After a brief discussion of the theory of the SF Bethe–Salpeter equation (BSE) and some examples further illustrating the need for calculating S^ 2 , we present the derivation for the general equation for computing S^ 2 with the eigenvectors from an SF-BSE calculation, how it is implemented in a Python script, and timing information on how this calculation scales with the size of the SF-BSE Hamiltonian.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Basic Requirements of Spin-Flip Raman Scattering on Excitonic Resonances and Its Modulation through Additional High-Energy Illumination in Semiconductor Heterostructures

We describe the major requirements to experimentally perform and observe resonant spin-flip Raman scattering on excitonic resonances in low-dimensional semiconductors. We characterize in detail the properties of this resonant light scattering technique and evaluate the criteria, which must be fulfilled by the experimental setup and the semiconductor sample studied to be able to observe a spin-flip scattering process. We also demonstrate the influence of additional unpolarized laser illumination with energies, which exceed considerably the band gap energy of the semiconductor nanostructure under study, on the resonantly excited electron spin-flip scattering in InAs-based quantum dot ensembles as well as on the paramagnetic Mn-ion spin-flip in (Zn,Mn)Se/(Zn,Be)Se quantum wells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Entangling atomic spins with a Rydberg-dressed spin-flip blockade

Controlling the quantum entanglement between parts of a many-body system is key to unlocking the power of quantum technologies such as quantum computation, high-precision sensing, and the simulation of many-body physics. The spin degrees of freedom of ultracold neutral atoms in their ground electronic state provide a natural platform for such applications thanks to their long coherence times and the ability to control them with magneto-optical fields. However, the creation of strong coherent coupling between spins has been challenging. In this paper, we demonstrate a strong and tunable Rydberg-dressed interaction between spins of individually trapped caesium atoms with energy shifts of order 1 MHz in units of Planck’s constant. This interaction leads to a ground-state spin-flip blockade, whereby simultaneous hyperfine spin flips of two atoms are inhibited owing to their mutual interaction. Finally, we employ this spin-flip blockade to rapidly produce single-step Bell-state entanglement between two atoms with a fidelity ≥81(2)%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

SPIN FLIPPING SYSTEM IN THE JLEIC COLLIDER RING

The figure-8 JLEIC collider ring opens wide possibilities for manipulating proton and deuteron spin directions during an experiment. Using 3D spin rotators, one can, at the same time, efficiently control the polarization direction as well as the spin tune value. The 3D spin rotators allow one to arrange a system for reversals of the spin direction in all beam bunches during an experiment, i.e. a spin-flipping system. To preserve the polarization, one has to satisfy the condition of adiabatic change of the spin direction. When adjusting the polarization direction, one can stabilize the spin tune value, which completely eliminates resonant beam depolarization during the spin manipulation process. We provide the results of numerical modeling of a spin-flipping system in the JLEIC ion collider ring. The presented results demonstrate the feasibility of organizing a spin-flipping system using a 3D rotator. The figure-8 JLEIC collider provides a unique capability of doing high-precision experiments with polarized ion beams.

Kondratenko, A. M.↗