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At least 181 records · Page 10

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Lee, Timothy J.↗

Free-Spinning-Tunnel Tests of a 1/24-Scale Model of the McDonnell XP-88 Airplane with a Conventional Tail

An investigation of the spin and recovery characteristics of a 1/24-scale model of the McDonnell XP-88 airplane has been conducted in the Langley 20-foot free-spinning tunnel. The effects of control settings and movements on the erect and inverted spin and recovery characteristics of the model in the normal loading were determined. Tests of the model in the long-range loading also were made. The investigation included tail-modification, spin-recovery parachute, pilot-escape, and rudder-pedal-force tests. Recoveries were generally satisfactory for spins in the normal loading provided the ailerons were not held against the spin. Satisfactory recoveries were obtained regardless of the aileron setting when the leading-edge flaps were deflected and normal recovery technique was used or when the horizontal tail was raised 70 inches, full scale. Recoveries were rapid from all inverted spins obtained. In the long-range loading with tanks on, it may be necessary to jettison the tanks in order to obtain recovery. A 12.0-foot spin-recovery parachute at the tail or a 4.0-foot parachute opened on the outer wing tip (drag coefficient of 0.66) was found to be effective for recoveries from demonstration spins. Test results showed that in an emergency the pilot should attempt to escape from the outboard side of the spinning airplane. The rudder-pedal forces in a spin were indicated to be within the capabilities of the pilot.

Berman, Theodore↗

Concluding Report on Free-Spinning and Recovery Characteristics of a 1/24-Scale Model of the Grumman F11F-1 Airplane, TED No. NACA AD 395

An investigation has been completed in the Langley 20-foot free-spinning tunnel on a l/24-scale model of the Grumman F11F-1 airplane to determine its spin and recovery characteristics. An interim report, Research Memorandum SL55G20, was published earlier and the present report concludes the presentation of results of the investigation. Primarily, the present report presents results obtained with engine gyroscopic moments simulated on the model. Also, the current results were obtained with a revised larger vertical tail recently incorporated on the airplane. It was difficult to obtain developed spins on the model when the spin direction was in the same sense as that of the engine rotation (right spin on the airplane). The developed spins obtained were very oscillatory and the recoveries were unsatisfactory. These results were similar to those previously reported for which engine rotation was not simulated. When the spin direction was in the opposite sense (left spin on the airplane), however, developed spins were readily obtainable. Recoveries from these spins also were unsatisfactory. Satisfactory recoveries were obtained on the model, however, when rudder reversal was accompanied by extension of small canards near the nose of the airplane or by deflection of the horizontal tail differentially with the spin.

Bowman, James S., Jr.↗

Free-Spinning Characteristics of a 1/24-Scale Model of the Grumman F11F-1 Airplane, TED No. NACA AD 395

An investigation is being conducted in the Langley 20-foot free-spinning tunnel on a 1/24-scale model of the Grumman F11F-1 airplane to determine spin and recovery characteristics and the minimum-size parachute required to satisfactorily terminate the spin in an emergency. Results obtained to date are presented herein. Test results indicate that it may be difficult to obtain an erect or inverted spin on the airplane, but, if a spin is obtained, the spin will be very oscillatory and recovery from the developed erect spin by rudder reversal may not be possible. The lateral controls will have no appreciable effect on recoveries from erect.spins. Recovery from the inverted spin by merely neutralizing the rudder will be satisfactory. After recoveries by rudder reversal and after recoveries from spins without control movement (no spins), the model oftentimes rolled very rapidly about the X-axis. Based on limited preliminary tests made in this investigation to make the model recover satisfactorily, it appears that canards near the nose of the airplane or differentially operated horizontal tails may be utilized to provide rapid recoveries. The parachute test results indicate that an 11-foot-diameter (laid-out-flat) parachute with a drag coefficient of 0.650 (based on the laid- out-flat diameter) and with a towline length equal to the wing span is the minimum-size parachute required to satisfactorily terminate an erect or inverted spin in an emergency.

Bowman, James S., Jr.↗

Spin Investigation of a 1/29-Scale Model of the Republic XF-91 Airplane with a Conventional Tail Installed

An investigation has been conducted in the Langley 20-foot free-spinning tunnel of a 1/29-scale model of the Republic XF-91 airplane with a.conventional-tail arrangement installed. Previously, tests were made on the model with a vee tail installed. The erect spin and recovery characteristics of the model were determined for the normal loading with the wing installed at various amounts of incidence. The spin investigation also included inverted-spin tests, spin-recovery-parachute tests, tests with the center of gravity moved rearward, and tests with external fuel tanks added to the model. In addition, several tail.modifications were tested,on the model in an attempt, to improve the model's spin-recovery characteristics. The results indicate that any fully developed spin obtained on the airplane with the conventional tail installed will be satisfactorily terminated if rudder reversal is accompanied by moving the ailerons with the spin (stick right in a right spin).Decreasing the wing incidence from 6deg to -2deg should have a beneficial effect on the recovery characteristics of the airplane. Recovery characteristics by normal use of controls (full rudder reversal followed by moving the elevators down) will be satisfactory if the wing incidence,of the airplane is -2deg. Installation of external fuel tanks (with or without fuel) will have a somewhat adverse effect on the recovery characteristics of the airplane, but if the recovery technique includes movement of the ailerons to full with the spin, the spin rotation will be terminated rapidly. Varying the position of the center of gravity within the limits indicated to be possible on the airplane should not affect the recovery characteristics.

Klinar, Walter J.↗

Free-Spinning-Tunnel Investigation of a 1/30-Scale Model of the Grumman XF1OF-1 Airplane

An investigation has been conducted in the Langley 20-foot free-spinning tunnel on a 1/30 - scale model of the Grumman XFlOF-1 airplane to determine its spin and recovery characteristics. The investigation included erect and inverted spins for both the straight-wing and swept-wing configurations. Tests to determine the optimum size spin-recovery parachutes and the rudder forces required for recovery were also made. The results indicated that in the straight-wing configuration, satisfactory recoveries of the airplane will be obtained from erect and inverted spins by rudder reversal alone. In the swept-wing configuration recoveries will be unsatisfactory from erect spins. Unsweeping the wings during the spin and reversal of the rudder, however, will lead to eventual recovery. The test results also indicated that, if existing small ailerons are made deflectable through large angles, satisfactory recoveries will be obtained from erect spins in the swept-wing configuration by simultaneous movement of the rudder to against the spin and movement of the ailerons to with the spin. Normal-size ailerons deflected through a normal range would also be effective. Satisfactory recoveries by rudder reversal will be obtained from inverted spins in the swept-wing configuration. In the straight-wing configuration a 14.2-foot tail parachute or a 5.0-foot wing-tip parachute opened on the outer wing tip will effect satisfactory recovery of the airplane by parachute action alone; a 30.0-foot tail parachute or a 10.0-foot wing-tip parachute will be required for the swept-wing configuration. The forces required to fully reverse the rudder should be within the capabilities of the pilot.

Berman, Theodore↗

Spin Start Line Effects on the J2X Gas Generator Chamber Acoustics

The J2X Gas Generator engine design has a spin start line connected near to the turbine inlet vanes. This line provides helium during engine startup to begin turbomachinery operation. The spin start line also acts as an acoustic side branch which alters the chamber's acoustic modes. The side branch effectively creates 'split modes' in the chamber longitudinal modes, in particular below the first longitudinal mode and within the frequency range associated with the injection-coupled response of the Gas Generator. Interaction between the spin start-modified chamber acoustics and the injection-driven response can create a higher system response than without the spin start attached to the chamber. This work reviews the acoustic effects of the spin start line as seen throughout the workhorse gas generator test program. A simple impedance model of the spin start line is reviewed. Tests were run with no initial spin start gas existing in the line, as well as being initially filled with nitrogen gas. Tests were also run with varying spin start line lengths from 0" to 40". Acoustic impedance changes due to different spin start gas constituents and line lengths are shown. Collected thermocouple and static pressure data in the spin start line was used to help estimate the fluid properties along the line length. The side branch impedance model was coupled to a chamber impedance model to show the effects on the overall chamber response. Predictions of the spin start acoustic behavior for helium operation are shown and compared against available data.

Kenny, R. Jeremy↗

Spin-dependent electron transfer in electrochemically transparent van der Waals heterostructures for oxygen evolution reaction

Spin selective catalysis is an emerging approach for improving the thermodynamics and kinetics of reactions. The role of electron spins has been scarcely studied in catalytic reactions. One exception is the oxygen evolution reaction (OER) where strongly correlated metals and oxides are used as catalysts. In OER, spin alignment facilitates the transition of singlet state of the reactant to the triplet state of O 2 . However, the influence of strong correlations on spin exchange mechanism and spin selective thermodynamics of most catalytic reactions remain unclear. Here we decouple the strongly correlated catalyst from the electrolyte to study spin exchange in two-dimensional (2D) magnetic iron germanium telluride (FGT) heterostructure. We demonstrate that transmission of spin and electrochemical information between the catalyst and the reactant can occur through quantum exchange interaction despite the catalyst of FGT being completely encapsulated by graphene or hexagonal boron nitride (hBN). The strong correlations in FGT that lead to enhanced spin exchange in OER are observed in graphene or hBN layers with thicknesses of up to 6 nm. We demonstrate that spin alignment in FGT leads to a lowering of thermodynamic barrier for adsorption of hydroxide ion and electron transfer to the catalyst. This results in up to fivefold enhancement in OER performance and improved kinetics. Our results provide clear evidence that transmission of both quantum mechanical and electrochemical information through quantum spin exchange interaction in FGT leads to an enhancement in catalytic performance.

2D materials↗

Spin-Valley Locking in 2 H -TaS 2 and Its Co-Intercalated Counterpart: Roles of Surface Domains and Co Intercalation

Tuning and probing spin-valley coupling is key to understanding correlated ground states in 2H-TaS 2 . Its magnetically intercalated analogue, Co 1/3 TaS 2 , introduces additional degrees of freedom, including modified interlayer coupling and magnetism, to modulate spin-valley physics. Surface-sensitive probes like ARPES are essential for accessing surface spin texture, yet previous studies on 2H-TMDs have reported conflicting results regarding spin-polarized bands, leaving open whether these discrepancies are intrinsic or extrinsic. Here, in this study, we performed spatially resolved spin-ARPES measurements on 2H-TaS 2 and Co 1/3 TaS 2 . Our results reveal robust spin-valley locking on both compounds. Importantly, Co intercalation enhances interlayer hybridization and introduces magnetism while preserving the TaS 2 -derived spin texture. We further observe a spatial reversal of the out-of-plane spin polarization, which we attribute to different surface domains. This effect complicates quantifying spin textures and may underlie prior inconsistent observations. Our findings provide microscopic insight into how interlayer interactions and surface domains together govern spin-valley phenomena in layered TMDs.

Spin-resolved angle-resolved photoemission spectro↗

Coherent population trapping and spin relaxation of a silicon vacancy center in diamond at millikelvin temperatures

Here, we report experimental studies of coherent population trapping (CPT) and spin relaxation in a temperature range 4 K–100 mK in a silicon vacancy (SiV) center subject to a transverse magnetic field. The spin linewidth, which is determined by spin dephasing, is extracted from power dependent CPT linewidths. Near and below 1 K, phonon-induced spin dephasing becomes negligible compared with that induced by the spin bath of naturally abundant 13 C atoms. The temperature dependence of the spin dephasing rates agrees with the theoretical expectation that phonon-induced spin dephasing arises primarily from orbital relaxation induced by first order electron-phonon interactions. A nearly 100-fold increase in spin lifetime is observed when the temperature is lowered from 4 K to slightly below 1 K, indicating that two-phonon spin-flip transitions play an essential role in the spin relaxation of SiV ground states.

36 MATERIALS SCIENCE↗

Light-induced electron spin qubit coherences in the purple bacteria reaction center protein

Photosynthetic reaction center proteins (RCs) provide ideal model systems for studying quantum entanglement between multiple spins, a quantum mechanical phenomenon wherein the properties of the entangled particles become inherently correlated. Following light-generated sequential electron transfer, RCs generate spin-correlated radical pairs (SCRPs), also referred to as entangled spin qubit (radical) pairs (SQPs). Understanding and controlling coherence mechanisms in SCRP/SQPs is important for realizing practical uses of electron spin qubits in quantum sensing applications. The bacterial RC (bRC) provides an experimental system for exploring quantum effects in the SCRP P 865 + Q A − , where P 865 , a special pair of bacteriochlorophylls, is the primary donor, and Q A is the primary quinone acceptor. In this study, we focus on understanding how local molecular environments and isotopic substitution, particularly deuteration, influence spin coherence times (T M ). Using high-frequency electron paramagnetic resonance (EPR) spectroscopy, we observed that the local environment surrounding P 865 and Q A plays a significant role in determining T M . Our findings show that while deuteration led to a modest increase in T M , particularly at low temperatures, but the effect was substantially smaller than predicted by classical nuclear spin diffusion alone. This result is in contrast to our previous study of the photosystem I (PSI) RC, where no increase in T M was observed upon deuteration. Theoretical modeling identified several methyl groups at key distances from the spin centers of both bRC and PSI, and methyl group tunneling at low temperatures has been previously suggested as a mechanism for enhanced spin decoherence. Additionally, our study revealed a strong dependence of spin coherence on the orientation of the external magnetic field, highlighting the influence of the protein microenvironment on spin dynamics. In conclusion, these results offer new insights for optimizing coherence times in quantum system design for quantum information science and sensing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Giant spin transport anisotropy in magnetic topological insulators

Here, we report on exceptionally long spin transport and giant spin lifetime anisotropy in the gapped surface states of three-dimensional (3D) magnetic topological insulators (MTIs). We examine the properties of these states using the three-dimensional Fu-Kane-Mele Hamiltonian model in the presence of a magnetic exchange field. The corresponding spin textures of surface states, which are well reproduced by an effective two-band model, hint at a considerable enhancement of the lifetime of out-of-plane spins compared to in-plane spins. This is confirmed by large-scale spin transport simulations for 3D MTIs with disorder. The energy dependence of the spin lifetime anisotropy arises directly from the nontrivial spin texture of the surface states, and is correlated with the onset of the quantum anomalous Hall phase. Our findings suggest different spin filtering capabilities of the gapped surface MTI states, which could be explored by nonlocal spin valve measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Layer-dependent spin-resolved electronic structure of ferromagnetic triple-layered ruthenate Sr4Ru3O10

High-resolution angle- and spin-resolved photoemission spectroscopy (ARPES) of the triple-layered ruthenate Sr4Ru3O10 reveals features of the electronic structure that extend our understanding of the layered strontium ruthenates. The spectra near the Fermi energy are very different from the nonmagnetic analogues Sr2RuO4 and Sr3Ru2O7 with distinct Fermi surfaces for wide electronlike minority spin bands around the zone center and narrow holelike majority spin Fermi surface contours around the zone corners. The most dramatic results are two narrow spectral peaks ∼30 meV below the Fermi level, a spin-minority holelike band at the Brillouin zone center, and a spin-majority saddle-band van Hove singularity at the zone edge, which exhibits almost 100% spin polarization at low temperature, and a strong temperature dependent coherence-incoherence crossover attributed to Hund metal correlations. Quantitative comparison of the ARPES to spin-polarized density functional theory (DFT) calculations identify the specific antibonding and nonbonding orbital origins of the narrow bands, with a prediction of different spatial localization in the central and outer layers. This is shown to be consistent with experimental ARPES multizone matrix element intensity variations, and implicates outer-layer-specific control of the in-plane metamagnetism. The renormalization of the bands relative to the mean-field DFT, the demonstration of spin-polarized oxygen bands, and of spin-minority and spin-majority band-crossing hybridization provide a more complete picture of the magnetism which displays aspects of both delocalized and local moment behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spin-Charge-Lattice Coupling across the Charge Density Wave Transition in a Kagome Lattice Antiferromagnet

Understanding spin and lattice excitations in a metallic magnetic ordered system forms the basis to unveil the magnetic and lattice exchange couplings and their interactions with itinerant electrons. Kagome lattice antiferromagnet FeGe is interesting because it displays a rare charge density wave (CDW) deep inside the antiferromagnetic ordered phase that interacts with the magnetic order. Here, we use neutron scattering to study the evolution of spin and lattice excitations across the CDW transition 𝑇 CDW in FeGe. While spin excitations below ∼100 meV can be well described by spin waves of a spin-1 Heisenberg Hamiltonian, spin excitations at higher energies are centered around the Brillouin zone boundary and extend up to ∼180 meV consistent with quasiparticle excitations across spin-polarized electron-hole Fermi surfaces. Furthermore, 𝑐-axis spin wave dispersion and Fe-Ge optical phonon modes show a clear hardening below 𝑇 CDW due to spin-charge-lattice coupling but with no evidence of a phonon Kohn anomaly. By comparing our experimental results with density functional theory calculations in absolute units, we conclude that FeGe is a Hund’s metal in the intermediate correlated regime where magnetism has contributions from both itinerant and localized electrons arising from spin polarized electronic bands near the Fermi level.

charge density waves↗

Colossal anisotropic absorption of spin currents induced by chirality

The chiral induced spin selectivity (CISS) effect, in which the structural chirality of a material determines the preference for the transmission of electrons with one spin orientation over that of the other, is emerging as a design principle for creating next-generation spintronic devices. CISS implies that the spin preference of chiral structures persists upon injection of pure spin currents and can act as a spin analyzer without the need for a ferromagnet. Here, we report an anomalous spin current absorption in chiral metal oxides that manifests a colossal anisotropic nonlocal Gilbert damping with a maximum-to-minimum ratio of up to 1000%. A twofold symmetry of the damping is shown to result from differential spin transmission and backscattering that arise from chirality-induced spin splitting along the chiral axis. These studies reveal the rich interplay of chirality and spin dynamics and identify how chiral materials can be implemented to direct the transport of spin current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron Spin Polarization in Large Electric Fields

This project investigated the effects of large electric fields on electron spin polarization in semiconductors, which is of interest for spin-based electronics (“spintronics”) and quantum information processing. It has been theoretically proposed that large electric fields could potentially preserve or amplify electron spin polarization, which would make it easier to generate, transport, and detect spin polarization in spin-based devices; however, previous measurements had not measured the response of electron spin polarization at large electric fields. During this project, methods to perform measurements of electron spin polarization at large electric fields were developed and performed using ultrafast time- and spatially-resolved magneto-optical spectroscopy, high-voltage pulses, and lock-in detection. The device geometry was engineered to reduce the threshold voltage required to reach the Gunn threshold, and the effect of optical illumination on the sample conductivity and Gunn oscillations was investigated. Electron spin polarization measurements were performed at electric fields up to and beyond the Gunn threshold for the device. The measurements showed that the electron spin polarization magnitude decreased with increasing electric field in the devices measured, and a spin amplification effect was not observed. However, these effects could potentially exist in a different material or in a material with a different doping concentration or in a different device geometry.

36 MATERIALS SCIENCE↗

Effects of several factors on theoretical predictions of airplane spin characteristics

The influence of different mathematical and aerodynamic models on computed spin motion was investigated along with the importance of some of the aerodynamic and nonaerodynamic quantities defined in these models. An analytical technique was used which included the aerodynamic forces and moments acting on a spinning aircraft due to steady rotational flow and the contribution of the rotary derivatives to the oscillatory component of the total angular rates. It was shown that (1) during experimental-analytical correlation studies, the flight-recorded control time histories must be faithfully duplicated since the spinning motion can be sensitive to a small change in the application of the spin entry controls; (2) an error in the assumed inertias, yawing moments at high angle of attack, and initial spin entry bank angle do not influence the developed spin significantly; (3) damping in pitch derivatives and the center of gravity location play a role in the spinning motion; and (4) the experimental spin investigations conducted in a constant atmospheric density environment duplicate the Froude number only at the initial full-scale spin altitude (since the full-scale airplane at high altitudes experiences large density changes during the spin.)

Bihrle, W., Jr.↗

Spin-tunnel investigation of a 1/13-scale model of the NASA AD-1 oblique-wing research aircraft

The spin and recovery characteristics of a 1/13-scale model of the NASA AD-1 oblique-wing research aircraft at wing-skew positions of 0, 25, 45, and 60 deg (right wing forward) were investigated. Spins were obtained for all wing-skew positions tested. For the unskewed wing position, two spin modes were possible. One spin mode was very steep and recoveries were obtained within 1 turn or less by rudder reversal. The second spin mode was flat and fast; the angle of attack was about 75 deg and the spin rate was about 145 deg/sec (2.5 seconds per turn). For the skewed wing positions, spins were obtained only in the direction of the forward-skewed wing (right wing forward). No spins were obtained to the left when the wing was skewed with the right wing forward. Recoveries should be attempted by deflecting the rudder to full against the spin, the ailerons to full with the spin, and movement of the wings to 0 deg skew. If the wing is skewed, the recovery may not be effected until the wing skew approaches 0 deg.

White, W. L.↗