Spin-projected and extended SCF calculations.
Spin restricted, unrestricted, projected unrestricted and extended SCF wave functions energies compared, discussing calculation method for spin extended SCF functions
WAVE FUNCTION↗
SEARCH · Engineering Papers
Results for “spin waves”
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Wave functions for the excited states of neutral helium.
Excited states of neutral He, obtaining wave functions from minimum principle by configuration interaction procedure
EXCITED STATE↗
Electrical switching of a p-wave magnet
Magnetic states with zero magnetization but non-relativistic spin splitting are outstanding candidates for the next generation of spintronic devices. Their electronvolt (eV)-scale spin splitting, ultrafast spin dynamics and nearly vanishing stray fields make them particularly promising for several applications. A variety of such magnetic states with non-trivial spin textures have been identified recently, including even-parity d-wave, g-wave or i-wave altermagnets and odd-parity p-wave magnets. Achieving voltage-based control of the non-uniform spin polarization of these magnetic states is of great interest for realizing energy-efficient and compact devices for information storage and processing. Spin-spiral type II multiferroics are optimal candidates for such voltage-based control, as they exhibit an inversion-symmetry-breaking magnetic order that directly induces ferroelectric polarization, allowing for symmetry-protected cross-control between spin chirality and polar order. Here we combine photocurrent measurements, first-principles calculations and group-theory analysis to provide direct evidence that the spin polarization of the spin-spiral type II multiferroic NiI 2 exhibits odd-parity character connected to the spiral chirality. The symmetry-protected coupling between chirality and polar order enables electrical control of a primarily non-relativistic spin polarization. Our findings represent an observation of p-wave magnetism in a spin-spiral type II multiferroic, which may lead to the development of voltage-based switching of non-relativistic spin polarization in compensated magnets.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Certifying the quantumness of a generalized coherent control scenario
We consider the role of quantum mechanics in a specific coherent control scenario, designing a “coherent control interferometer” as the essential tool that links coherent control to quantum fundamentals. Building upon this allows us to rigorously display the genuinely quantum nature of a generalized weak-field coherent control scenario (utilizing 1 vs. 2 photon excitation) via a Bell-CHSH test. Specifically, we propose an implementation of “quantum delayed-choice” in a bichromatic alkali atom photoionization experiment. The experimenter can choose between two complementary situations, which are characterized by a random photoelectron spin polarization with particle-like behavior on the one hand, and by spin controllability and wave-like nature on the other. Because these two choices are conditioned coherently on states of the driving fields, it becomes physically unknowable, prior to measurement, whether there is control over the spin or not.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Superconductivity in the doped t – J model: Results for four-leg cylinders
Here, we report a density-matrix renormalization group study of the lightly doped t–J model on a four-leg cylinder with doped hole concentrations per site δ = 5%–12.5%. By keeping an unusually large number of states and long system sizes, we are able to accurately document the interplay between superconductivity, spin, and charge-density-wave orders. The long-distance behavior is consistent with that of a Luther-Emery liquid with a spin gap and power-law charge-density-wave and superconducting correlations. This is the widest t–J or Hubbard system in which power-law superconducting correlations have been established.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Prediction of exotic magnetic states in the alkali-metal quasi-one-dimensional iron selenide compound Na 2 FeSe 2
The magnetic and electronic phase diagram of a model for the quasi-one-dimensional alkali-metal iron selenide compound Na 2 FeSe 2 is presented. The novelty of this material is that the valence of iron is Fe 2+ , contrary to most other iron-chain compounds with valence Fe 3+ . Using first-principles techniques, we developed a three-orbital tight-binding model that reproduces the ab initio band structure near the Fermi level. Including Hubbard and Hund couplings and studying the model via the density-matrix renormalization group and Lanczos methods, we constructed the ground-state phase diagram. A robust region where the block state ↑↑↓↓↑↑↓↓ is stabilized was unveiled. The analog state in iron ladders, employing 2×2 ferromagnetic blocks, is by now well established, but in chains a block magnetic order has not been observed yet in real materials. The phase diagram also contains a large region of canonical staggered spin order ↑↓↑↓↑↓↑ at very large Hubbard repulsion. At the block-to-staggered transition region, an exotic phase is stabilized with a mixture of both states: an inhomogeneous orbital-selective charge density wave with the exotic spin configuration ↑↑↓↑↓↓↑↓. Our predictions for Na 2 FeSe 2 may guide crystal growers and neutron-scattering experimentalists towards the realization of block states in one-dimensional iron selenide chain materials.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Functional Renormalization Group Study of Superconductivity in Rhombohedral Trilayer Graphene
We employ a functional renormalization group approach to ascertain the pairing mechanism and symmetry of the superconducting phase observed in rhombohedral trilayer graphene. Superconductivity in this system occurs in a regime of carrier density and displacement field with a weakly distorted annular Fermi sea. We find that repulsive Coulomb interactions can induce electron pairing on the Fermi surface by taking advantage of momentum-space structure associated with the finite width of the Fermi sea annulus. Furthermore, the degeneracy between spin-singlet and spin-triplet pairing is lifted by valley-exchange interactions that strengthen under the RG flow and develop nontrivial momentum-space structure. We find that the leading pairing instability is d-wave-like and spin-singlet, and that the theoretical phase diagram versus carrier density and displacement field agrees qualitatively with experiment.
36 MATERIALS SCIENCE↗
Photoproduction of K 0 S Pairs at GlueX
We present an study of the ¿¿ ¿ ¿0 ¿¿0 ¿¿ channel measured by the GlueX experiment. This channel selects for resonances with ¿¿¿ = even++ quantum numbers (the ¿0, ¿2, ¿0, and ¿2 light, flavorless mesons) and potentially contains contributions from the lightest scalar glueball (¿0). Data from the 2017, 2018, and 2020 run periods are used to perform a mass independent (binned) partial-wave analysis to distinguish spin states. Due to the polarized photon beam at GlueX, we are also able to extract reflectivity amplitudes for the first time in this channel. Additionally, we perform mass-dependent partial-wave analyses using a fixed ¿-matrixparameterization to attempt a determination of the relative contribution of each res onance, and we present a guided initialization method which facilitates navigation through a parameter space with many local minima. These mass-dependent fits are a proof-of-concept in using fixed ¿-matrix models constrained by other experiments to measure photoproduc tion amplitudes for overlapping states which may only differ by isospin, a property which cannot be distinguished in this channel.
Hoffman, Nathaniel [Carnegie Mellon University]↗
First narrow-band search for continuous gravitational waves from known pulsars in advanced detector data
Spinning neutron stars asymmetric with respect to their rotation axis are potential sources of continuous gravitational waves for ground-based interferometric detectors. In the case of known pulsars a fully coherent search, based on matched filtering, which uses the position and rotational parameters obtained from electromagnetic observations, can be carried out. Matched filtering maximizes the signal-to-noise (SNR) ratio, but a large sensitivity loss is expected in case of even a very small mismatch between the assumed and the true signal parameters. For this reason, narrow-band analyses methods have been developed, allowing a fully coherent search for gravitational waves from known pulsars over a fraction of a hertz and several spin-down values. In this paper we describe a narrow-band search of eleven pulsars using data from Advanced LIGO's first observing run. While we have found several initial outliers, further studies show no significant evidence for the presence of a gravitational wave signal. Lastly, we have placed upper limits on the signal strain amplitude lower than the spin-down limit for 5 of the 11 targets over the bands searched: in the case of J1813-1749 the spin-down limit has been beaten for the first time. For an additional 3 targets, the median upper limit across the search bands is below the spin-down limit. This is the most sensitive narrow-band search for continuous gravitational waves carried out so far.
79 ASTRONOMY AND ASTROPHYSICS↗
Dyakonov-Perel Effect on Spin Dephasing in n-Type GaAs
A paper presents a study of the contribution of the Dyakonov-Perel (DP) effect to spin dephasing in electron-donor-doped bulk GaAs in the presence of an applied steady, moderate magnetic field perpendicular to the growth axis of the GaAs crystal. (The DP effect is an electron-wave-vector-dependent spin-state splitting of the conduction band, caused by a spin/orbit interaction in a crystal without an inversion center.) The applicable Bloch equations of kinetics were constructed to include terms accounting for longitudinal optical and acoustic phonon scattering as well as impurity scattering. The contributions of the aforementioned scattering mechanisms to spin-dephasing time in the presence of DP effect were examined by solving the equations numerically. Spin-dephasing time was obtained from the temporal evolution of the incoherently summed spin coherence. Effects of temperature, impurity level, magnetic field, and electron density on spin-dephasing time were investigated. Spin-dephasing time was found to increase with increasing magnetic field. Contrary to predictions of previous simplified treatments of the DP effect, spin-dephasing time was found to increase with temperature in the presence of impurity scattering. These results were found to agree qualitatively with results of recent experiments.
Ning, C. Z.↗
Modulated Continuous Wave Control for Energy-Efficient Electron-Nuclear Spin Coupling
Not Available
Casanova, J.↗
Spiraling Light with Magnetic Metamaterial Quarter-Wave Turbines
Miniaturized quarter-wave plate devices empower spin to orbital angular momentum conversion and vector polarization formation, which serve as bridges connecting conventional optical beam and structured light. Enabling the manipulability of additional dimensions as the complex polarization and phase of light, quarter-wave plate devices are essential for exploring a plethora of applications based on orbital angular momentum or vector polarization, such as optical sensing, holography, and communication. Here we propose and demonstrate the magnetic metamaterial quarter-wave turbines at visible wavelength to produce radially and azimuthally polarized vector vortices from circularly polarized incident beam. The magnetic metamaterials function excellently as quarter-wave plates at single wavelength and maintain the quarter-wave phase retardation in broadband, while the turbine blades consist of multiple polar sections, each of which contains homogeneously oriented magnetic metamaterial gratings near azimuthal or radial directions to effectively convert circular polarization to linear polarization and induce phase shift under Pancharatnum-Berry’s phase principle. The perspective concept of multiple polar sections of magnetic metamaterials can extend to other analogous designs in the strongly coupled nanostructures to accomplish many types of light phase-polarization manipulation and structured light conversion in the desired manner.
Science & Technology - Other Topics↗
Metal-ligand delocalization and spin density in the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} molecules: Some insights from wave function theory
The aim of this paper is to unravel the physical phenomena involved in the calculation of the spin density of the CuCl{sub 2} and [CuCl{sub 4}]{sup 2−} systems using wave function methods. Various types of wave functions are used here, both variational and perturbative, to analyse the effects impacting the spin density. It is found that the spin density on the chlorine ligands strongly depends on the mixing between two types of valence bond structures. It is demonstrated that the main difficulties found in most of the previous studies based on wave function methods come from the fact that each valence bond structure requires a different set of molecular orbitals and that using a unique set of molecular orbitals in a variational procedure leads to the removal of one of them from the wave function. Starting from these results, a method to compute the spin density at a reasonable computational cost is proposed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Spin-vorticity coupling for massive vector mesons
Not Available
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Arbitrary amplitude magnetosonic solitary and shock structures in spin quantum plasma
A nonlinear analysis is carried out for the arbitrary amplitude magnetosonic solitary and shock structures in spin quantum plasmas. A quantum magnetohydrodynamic model is used to describe the magnetosonic quantum plasma with the Bohm potential and the pressure like spin force for electrons. Analytical calculations are used to simplify the basic equations, which are then studied numerically. It is shown that the magnetic diffusivity is responsible for dissipation, which causes the shock-like structures rather than the soliton structures. Additionally, wave speed, Zeeman energy, and Bohm potential are found to have significant impact on the shock wave structures.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Radio Emissions Observed by Galileo near Io
The Galileo spacecraft observed spin modulation of radio wave emissions near Io in the frequency range from about 600 kHz to about 1.2 MHz. Assuming transverse EM radiation, we have used the modulation of the high-frequency sweep-frequency receiver signals of the electric dipole antenna over many spins to estimate the plane through the source. The emission has a range of frequencies close to the local upper hybrid frequency of the plasma near Io. We conclude that the emission may be associated with either the plasma torus or magnetic flux tubes in the wake of Io (the Alfven current system). We postulate this emission may be associated with a free-energy source such as density gradients, energetic plasma beams and/or an electron distribution with a temperature anisotropy. All of these free-energy sources are observed or expected in the torus near Io. The observations are the first in the hectometric frequency range that have a source associated with Io or in the Io torus.
Menietti, J. D.↗
Mixing of partial waves near B*B̄ * threshold in e⁺e⁻ annihilation
We consider the production of B*B̄ * meson pairs in e⁺e⁻ annihilation near the threshold. The rescattering due to pion exchange between the mesons results in a mixing between three partial wave amplitudes: two P-wave amplitudes with the total spin of the meson pair S=0 and S=2 and an F-wave amplitude. The mixing due to pion exchange with a low momentum transfer is calculable up to c.m. energy E≈15–20 MeV above the threshold. We find that the P–F mixing is numerically quite small in this energy range, while the mixing of the two P-wave amplitudes is rapidly changing with energy and can reach of order one at such low energies.
Li, Xin↗
Detecting crystal symmetry fractionalization from the ground state: Application to Z 2 spin liquids on the kagome lattice
In quantum spin liquid states, the fractionalized spinon excitations can carry fractional crystal symmetry quantum numbers, and this symmetry fractionalization distinguishes different symmetry-enriched spin liquid states with identical intrinsic topological order. In this work we propose a simple way to detect signatures of such crystal symmetry fractionalizations from the crystal symmetry representations of the ground state wave function. We demonstrate our method on projected Z 2 spin liquid wave functions on the kagome lattice, and show that it can be used to classify generic wave functions. Furthermore our method can be used to distinguish several proposed candidates of Z 2 spin liquid states on the kagome lattice.
36 MATERIALS SCIENCE↗