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DOE OSTI2016

Correlated impurities and intrinsic spin-liquid physics in the kagome material herbertsmithite

Low energy inelastic neutron scattering on single crystals of the kagome spin-liquid compound ZnCu 3 (OD) 6 Cl 2 (herbertsmithite) reveals in this paper antiferromagnetic correlations between impurity spins for energy transfers h(with stroke)ω < 0.8 meV (~ J/20). The momentum dependence differs significantly from higher energy scattering which arises from the intrinsic kagome spins. The low energy fluctuations are characterized by diffuse scattering near wave vectors (100) and (00 3/2), which is consistent with antiferromagnetic correlations between pairs of nearest-neighbor Cu impurities on adjacent triangular (Zn) interlayers. The corresponding impurity lattice resembles a simple cubic lattice in the dilute limit below the percolation threshold. Such an impurity model can describe prior neutron, NMR, and specific heat data. The low energy neutron data are consistent with the presence of a small spin gap (Δ ~ 0.7 meV) in the kagome layers, similar to that recently observed by NMR. Finally, the ability to distinguish the scattering due to Cu impurities from that of the planar kagome Cu spins provides an important avenue for probing intrinsic spin-liquid physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Revisiting spin ice physics in the ferromagnetic Ising pyrochlore Pr 2 Sn 2 O 7

Pyrochlore materials are characterized by their hallmark network of corner-sharing rare-earth tetrahedra, which can produce a wide array of complex magnetic ground states. Ferromagnetic Ising pyrochlores often obey the “two-in-two-out” spin ice rules, which can lead to a highly degenerate spin structure. Large moment systems, such as Ho 2 Ti 2 O 7 and Dy 2 Ti 2 O 7 , tend to host a classical spin ice state with low-temperature spin freezing and emergent magnetic monopoles. Systems with smaller effective moments, such as Pr 3+ -based pyrochlores, have been proposed as excellent candidates for hosting a “quantum spin ice” characterized by entanglement and a slew of exotic quasiparticle excitations. However, experimental evidence for a quantum spin ice state has remained elusive. Here, in this work, we show that the low-temperature magnetic properties of Pr 2 Sn 2 O 7 satisfy several important criteria for continued consideration as a quantum spin ice. We find that Pr 2 Sn 2 O 7 exhibits two distinct spin-correlation time scales of τ ≥ 10 –4 and ~10 –10 s in the spin ice regime. Our comprehensive bulk characterization and neutron scattering measurements enable us to map out the magnetic field-temperature phase diagram, producing results consistent with expectations for a ferromagnetic Ising pyrochlore. We identify key hallmarks of spin ice physics and show that the application of small magnetic fields (μ 0 H c ~0.5 T) suppresses the spin ice state and induces a field-polarized, ordered spin-ice phase. Together, our work clarifies the current state of Pr 2 Sn 2 O 7 and encourages future studies aimed at exploring the potential for a quantum spin ice ground state in this system.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Universal Single-Ion Physics in Spin–Orbit-Coupled d 5 and d 4 Ions

We have identified six new 4d 4 and 4d 5 compounds with isolated RuCl 6 octahedra, with formulas (HMA) 4 RuCl 6 ·Cl ( 1 ; MA = methylamine), (HGly) 4 RuCl 6 ·Cl ( 2 ; gly = glycine), (HGly) 3 RuCl 6 ·2H 2 O ( 3 ), (NH 4 ) 2 RuCl 6 ( 4 ), (HPy) 2 RuCl 6 ( 5 ; py = pyridine), and H 2 (4,4'-bpy)RuCl 6 ( 6 ; 4,4'-bpy = 4,4'-bipyridine). We find that the temperature-dependent magnetization is well described by single-ion physics in the presence of spin–orbit coupling and negligible superexchange interactions. Further, we find that many compounds in the literature are also well described by single-ion physics, and our results demonstrate the importance of considering single-ion physics when evaluating candidate geometric frustrated magnets in the presence of spin–orbit coupling.

optics, thermal conductivity, defects, charge tran↗

NASA NTRS2008

Scheme for Quantum Computing Immune to Decoherence

A constructive scheme has been devised to enable mapping of any quantum computation into a spintronic circuit in which the computation is encoded in a basis that is, in principle, immune to quantum decoherence. The scheme is implemented by an algorithm that utilizes multiple physical spins to encode each logical bit in such a way that collective errors affecting all the physical spins do not disturb the logical bit. The scheme is expected to be of use to experimenters working on spintronic implementations of quantum logic. Spintronic computing devices use quantum-mechanical spins (typically, electron spins) to encode logical bits. Bits thus encoded (denoted qubits) are potentially susceptible to errors caused by noise and decoherence. The traditional model of quantum computation is based partly on the assumption that each qubit is implemented by use of a single two-state quantum system, such as an electron or other spin-1.2 particle. It can be surprisingly difficult to achieve certain gate operations . most notably, those of arbitrary 1-qubit gates . in spintronic hardware according to this model. However, ironically, certain 2-qubit interactions (in particular, spin-spin exchange interactions) can be achieved relatively easily in spintronic hardware. Therefore, it would be fortunate if it were possible to implement any 1-qubit gate by use of a spin-spin exchange interaction. While such a direct representation is not possible, it is possible to achieve an arbitrary 1-qubit gate indirectly by means of a sequence of four spin-spin exchange interactions, which could be implemented by use of four exchange gates. Accordingly, the present scheme provides for mapping any 1-qubit gate in the logical basis into an equivalent sequence of at most four spin-spin exchange interactions in the physical (encoded) basis. The complexity of the mathematical derivation of the scheme from basic quantum principles precludes a description within this article; it must suffice to report that the derivation provides explicit constructions for finding the exchange couplings in the physical basis needed to implement any arbitrary 1-qubit gate. These constructions lead to spintronic encodings of quantum logic that are more efficient than those of a previously published scheme that utilizes a universal but fixed set of gates.

Williams, Colin↗

DOE OSTI2017

Physics of spinning gases and plasmas

Initially motivated by the problem of compression of spinning plasma in Z-pinch devices and related applications, the thesis explores a number of interesting smaller-scale problems related to physics of gas and plasma rotation. In particular, thermodynamics of ideal spinning gas is studied. It is found that rotation modifies the heat capacity of the gas and reduces the gas compressibility. It is also proposed that, by performing a series of measurement of external parameters of a spinning gas, one can infer the distribution of masses of gas constituents. It is also proposed how to use the rotation-dependent heat capacity for improving the thermodynamic efficiency of internal combustion engines. To that end, two possible engine embodiments are proposed and explored in detail. In addition, a transient piezothermal effect is discovered numerically and is given a theoretical explanation. The effect consists of the formation of a radial temperature gradient driven by gas heating or compression along the rotation axis. By elaborating on this idea, a theoretical explanation is proposed also for the operation of so-called vortex tubes, which so far have been lacking rigorous theory. Finally, adiabatic compression of spinning plasmas and ionized gases are considered, and the effect of the electrostatic interactions on the compressibility and heat capacity is predicted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Enhancement and destruction of spin-Peierls physics in a one-dimensional quantum magnet under pressure

The application of pressure reveals a rich phase diagram for the quantum S = 1/2 spin chain material TiOCl. Here, we performed x-ray diffraction on single-crystal samples in a diamond-anvil cell down to T = 4 K and pressures up to 14.5 GPa. Remarkably, the magnetic interaction scale increases dramatically with increasing pressure, as indicated by the high onset temperature of the spin-Peierls phase. The spin-Peierls phase was probed at ~ 6 GPa up to 215 K but possibly extends in temperature to above T = 300 K, indicating the possibility of a quantum singlet state at room temperature. Near the critical pressure for the transition to the more metallic phase, coexisting phases are exemplified by incommensurate order in two directions. Further comparisons are made with the phase diagrams of related spin-Peierls systems that display metallicity and superconductivity under pressure.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Physics opportunities with a fixed target experiment at the LHC (AFTER@LHC)

By extracting the beam with a bent crystal or by using an internal gas target, the multi-TeV proton and lead LHC beams allow one to perform the most energetic fixed-target experiments (AFTER@LHC) and to study p+p and p+A collisions at \sqrt{s_NN}=115 GeV and Pb+p and Pb+A collisions at \sqrt{s_NN}=72 GeV. Such studies would address open questions in the domain of the nucleon and nucleus partonic structure at high-x, quark-gluon plasma and, by using longitudinally or transversally polarised targets, spin physics. In this paper, we discuss the physics opportunities of a fixed-target experiment at the LHC and we report on the possible technical implementations of a high-luminosity experiment. We finally present feasibility studies for Drell-Yan, open heavy-flavour and quarkonium production, with an emphasis on high-x and spin physics.

Hadjidakis, Cynthia↗

DOE OSTI2017

Project Nuclotron-based Ion Collider fAcility at JINR

The project of Nuclotron-based Ion Collider fAcility (NICA) that is under development at JINR (Dubna) is presented. The general goals of the project are experimental studies of both hot and dense baryonic matter and spin physics (in collisions of polarized protons and deuterons). The first program requires providing of heavy ion collisions in the energy range of √(s{sub NN}) = 4–11 Gev at average luminosity of L = 1 × 10{sup 27} cm{sup −2} s{sup −1} for {sup 197}Au{sup 79+} nuclei. The polarized beams mode is proposed to be used in energy range of √(s{sub NN}) = 12–27 Gev (protons at luminosity of L ≥ 1 × 10{sup 30} cm{sup −2} s{sup −1}. The report contains description of the facility scheme and its characteristics in heavy ion operation mode. The Collider will be equipped with two detectors—MultiPurpose Detector (MPD), which is in an active stage of construction, and Spin Physics Detector (SPD) that is in the stage of conceptual design. Fixed target experiment “Baryonic matter at Nuclotron” (BM@N) will be performed in very beginning of the project. The wide program of applied researches at NICA facility is being developed as well.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

Methods for organizing the interaction of circulating particle beams with internal targets in nuclear physics experiments at synchrotrons and storage rings

The first methods for using internal targets and their further development for organization of nuclear physics experiments at synchrotrons and storage rings are reviewed. With these methods, new results are obtained and discoveries are made in physics of interactions of elementary particles and nuclei. Current uses of various internal targets and circulating particle beams in ongoing and projected research in particle physics, relativistic nuclear and spin physics, and physics of interactions of exotic and radioactive nuclei and for producing fluxes of secondary particles (mesons, neutrons, exotic and radioactive nuclei, etc.) for physics experiments are described.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

12 GeV CEBAF - The Physics and Experiments

In this talk the role of spin and polarization is discussed in experimental search for new excited baryon states and in the study of the internal quark-gluon structure of the proton and neutron. Also the perspective of spin physics at the 12 GeV CEBAF electron accelerator is discussed and what we hope to learn about fundamental properties of hadrons such as their multi-dimensional structure through the momentum and spatial imaging, and about the forces on the quarks in the proton and how quark confinement may be realized through the spatial distribution of such forces.

Burkert, Volker↗

DOE OSTI2016

Optical, Electrical and Magnetic Studies of Pi-Conjugated Organic Semiconductor Systems

Over the duration of this grant our group has studied the transient and cw optical response of various π-conjugated polymers, oligomers, single crystals, fullerene molecules and blends of organic donor-acceptor molecules. We have been also involved in complementary experiments such as magneto-optical studies and spin-physics. We have advanced the field of photophysics of these materials by providing information on their excited state energies and primodal and long-lived photoexcitations such as singlet excitons, triplet excitons, polaron-pairs, excimers and exciplexes. We also fabricated various organic optoelectronic devices such as organic light emitting diodes (OLED), electrochemical cells, organic diodes, organic spin-valves (OSV), and organic photovoltaic (OPV) solar cells. These devices benefited the society in terms of cheap and energy saving illumination, as well as harnessing the solar energy.

36 MATERIALS SCIENCE↗

DOE OSTI2021

On the physics potential to study the gluon content of proton and deuteron at NICA SPD

The Spin Physics Detector (SPD) is a future multipurpose experiment foreseen to run at the NICA collider, which is currently under construction at the Joint Institute for Nuclear Research (JINR, Dubna, Russia). The physics program of the experiment is based on collisions of longitudinally and transversely polarized protons and deuterons at √s up to 27 GeV and luminosity up to 10 32 cm –2 s –1 . SPD will operate as a universal facility for the comprehensive study of the unpolarized and polarized gluon content of the nucleon, using complementary probes such as: charmonia, open-charm, and prompt-photon production processes. Furthermore, the aim of this work is to provide a thorough review of the physics objectives that can potentially be addressed at SPD, underlining related theoretical aspects and discussing relevant experimental results when available. Among different pertinent phenomena particular attention is drawn to the study of the gluon helicity, gluon Sivers and Boer-Mulders functions in the nucleon, as well as the gluon transversity distribution in the deuteron, via the measurement of single and double spin asymmetries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Efficient Four-Component Dirac–Coulomb–Gaunt Hartree–Fock in the Pauli Spinor Representation

Four-component Dirac Hartree--Fock is an accurate mean-field method for treating molecular systems where relativistic effects are important. However, the computational cost and complexity of the two-electron interaction makes this method less common, even though we can consider the Dirac Hartree--Fock Hamiltonian the ``ground truth" of electronic structure, barring explicit quantum-electrodynamical effects. Being able to calculate these effects is then vital to the design of lower scaling methods for accurate predictions in computational spectroscopy and properties of heavy element complexes that must include relativistic effects for even qualitative accuracy. In this work, we present a Pauli quaternion formalism of maximal component- and spin-separation for computing the Dirac-Coulomb-Gaunt Hartree-Fock ground state, with a minimal floating-point-operation count algorithm. Furthermore, this approach also allows one to explicitly separate different spin physics from the two-body interactions, such as spin-free, spin-orbit, and the spin-spin contributions. Additionally, we use this formalism to examine relativistic trends in the periodic table, and analyze the basis set dependence of atomic gold and gold dimer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1982

Improved perfect-fluid energy-momentum tensor with spin in Einstein-Cartan space-time

The description of the spin given here is classical in that it is intrinsic but not quantized. The approach in this matter is similar to, for example, the work of Bailey and Israel (1973, 1975, 1979), where the fluid particles, which have intrinsic spin, may be galaxies or clusters of galaxies. The elementary particles of these objects and the 'ferromagnetic alignment' of their quantum spins are not resorted to in order to describe a fluid with spin. Physically this means that the equation of motion for the spin tensor is a modified Fermi-Walker transport equation (Misner et al., 1973), arising as a direct result of the inclusion of spin as an intrinsic variable in the thermodynamic description of the internal energy. The variables in this description are classical variables throughout and are not microscopic fields. An improved perfect-fluid energy-momentum tensor that includes spin and torsion is presented. Use is made of a Lagrangian variational principle based on the tetrad formalism of Halbwach (1960) and the method od constraints of Ray (1972).

Ray, J. R.↗

DOE OSTI2022

DEVELOPMENT OF HIGH QUANTUM EFFICIENCY STRAINED SUPERLATTICE SPIN POLARIZED PHOTOCATHODES VIA METAL ORGANIC CHEMICAL VAPOR DEPOSITION

Spin polarized photocathodes are necessary to examine parity violations and other fundamental phenomena in the field of high energy physics. To create these devices, expensive and complicated growth processes are necessary. While integral to accelerator physics, spin polarized electrons could have other exciting applications in materials science and other fields of physics. In order to explore these other applications feasibly, the relative supply of spin polarized photocathodes with a high rate of both polarization and photoemission needs to be increased. One such way to increase this supply is to develop the means to grow them faster and at a larger scale. Because most photocathodes are grown in slow, small-scale processes like Molecular Beam Epitaxy, an alternative needed to be found. In the following work, strained superlattice photocathodes were fabricated using metal organic vapor phase epitaxy. Using this growth process, we demonstrated that it is possible to create high quality photocathodes at a higher rate while maintaining a high quality of polarization and quantum efficiency, thus allowing for the exploration of other applications for these devices.

Belfore, Benjamin↗

DOE OSTI2016

Perspective: Ultrafast magnetism and THz spintronics

This year the discovery of femtosecond demagnetization by laser pulses is 20 years old. For the first time, this milestone work by Bigot and coworkers gave insight directly into the time scales of microscopic interactions that connect the spin and electron system. While intense discussions in the field were fueled by the complexity of the processes in the past, it now became evident that it is a puzzle of many different parts. Rather than providing an overview that has been presented in previous reviews on ultrafast processes in ferromagnets, this perspective will show that with our current depth of knowledge the first applications are developed: THz spintronics and all-optical spin manipulation are becoming more and more feasible. The aim of this perspective is to point out where we can connect the different puzzle pieces of understanding gathered over 20 years to develop novel applications. Based on many observations in a large number of experiments. Differences in the theoretical models arise from the localized and delocalized nature of ferromagnetism. Transport effects are intrinsically non-local in spintronic devices and at interfaces. We review the need for multiscale modeling to address the processes starting from electronic excitation of the spin system on the picometer length scale and sub-femtosecond time scale, to spin wave generation, and towards the modeling of ultrafast phase transitions that altogether determine the response time of the ferromagnetic system. Today, our current understanding gives rise to the first usage of ultrafast spin physics for ultrafast magnetism control: THz spintronic devices. This makes the field of ultrafast spin-dynamics an emerging topic open for many researchers right now.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Twist analysis of the spin-orbit correlation in QCD

We present a QCD analysis of the twist-three parton distribution functions associated with the spin-orbit correlation of quarks and gluons in spin-$\frac{1}{2}$ and spin-0 hadrons. We derive exact non-perturbative identities decomposing the spin-orbit correlations into the Wandzura-Wilczek part and the genuine twist-three part. In the spin-$\frac{1}{2}$ case, the result is partially related to the kinematical twist-three part of the g T (x) distribution familiar in the context of transverse spin physics. We use these identities to obtain a novel longitudinal momentum sum rule which may be regarded as the momentum version of the Jaffe-Manohar spin sum rule. We explore the physical interpretation of the sum rule and make a connection to the color Lorentz forces and their associated potential energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Polarized fusion and potential in situ tests of fuel polarization survival in a tokamak plasma

Abstract The use of spin-polarized fusion fuels would provide a significant boost towards the ignition of a burning plasma. The cross section for D + T → α + n, would be increased by 1.5 if the fuels were injected with parallel polarization. Furthermore, our simulations demonstrate additional non-linear power gains in large-scale machines such as ITER, due to increased alpha heating. Such benefits require the survival of spin polarizations for periods comparable to the particle confinement time. During the 1980s, calculations predicted that polarizations could survive a plasma environment, although concerns persisted regarding the cumulative impacts of wall recycling. In that era, technical challenges prevented direct tests and left the large scale fueling of a power reactor beyond reach. Over the last decades, this situation has changed dramatically. Detailed simulations of ITER have predicted negligible wall recycling in a high-power reactor, and recent advances in laser-driven sources project the capability of producing large quantities of ∼100% polarized D and T. The remaining crucial step is an in-situ demonstration of polarization survival in a plasma. For this, we outline a measurement strategy using the isospin-mirror reaction, D + 3 He → α + p. Polarized 3 He avoids the complexities of handling tritium, while encompassing the same spin-physics. We evaluate two methods of delivering deuterium, using dynamically polarized Lithium-Deuteride (with vector polarization P V D of 70%) or frozen-spin Hydrogen-Deuteride (with P V D of 40%), together with a method of injecting optically-pumped 3 He (with 65% polarization). Pellets of these materials all have long polarization decay times (∼6 min for LiD at 2 K, ∼2 months for HD at 2 K, and ∼3 d for 3 He at 77 K), all far greater than a plasma shot in a research tokamak such as DIII-D (∼20 s). Both species can be propelled from a single cryogenic injection gun. We review plasma requirements and strategies for detecting polarization survival. Polarization alters both fusion yields and the angular distribution of fusion products, and each of these provides a potential signal. In this paper we simulate a selection of shots with similar characteristics in a future high-T ion H plasma, and find ratios of yields from shots with fuel spins parallel and antiparallel reaching 1.3 (HD + 3 He) to 1.6 (LiD + 3 He) over a wide range of poloidal angles. (A companion paper finds sensitivity to fusion product angular distributions as reflected in the pitch angles of protons and alphas reaching the plasma facing wall.)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗