Quantum simulation of the spin- 1 2 XYZ model using solid-state spin centers
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Coherent spin states and emergent de Sitter quasinormal modes
As a toy model for the microscopic description of matter in de Sitter space, we consider a Hamiltonian acting on the spin-j representation of SU(2). This is a model with a finite-dimensional Hilbert space, from which quasinormal modes emerge in the large-spin limit. The path integral over coherent spin states can be evaluated at the semiclassical level and from it we find the single-particle de Sitter density of states, including 1/j corrections. Along the way, we discuss the use of quasinormal modes in quantum mechanics, starting from the paradigmatic upside-down harmonic oscillator.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Models of the spin state of the comet Halley nucleus
Eight rotation precession models of the comet Halley nucleus have been proposed by eight authors. The eight models were evaluated in relation to the constraints imposed by: (1) the observed long axis directions at the Vega 1, Vega 2, and Giotto encounters; (2) the ground based emission periods harmonically related to 7.4 days; (3) the need for a two day spin period in the analysis of the jet morphology; (4) the Smith et al. constraint on the net long axis roll between Vega 2 and Giotto; (5) the resistance of the spin state of the nucleus to change due to the torque from the jets; and (6) the 7.4 day repetition of the spatial orientation of the nucleus. The eight constraints are briefly described.
Julian, William H.↗
Isotopic Anomalies in Primitive Solar System Matter: Spin-State-Dependent Fractionation of Nitrogen and Deuterium in Interstellar Clouds
Organic material found in meteorites and interplanetary dust particles is enriched in D and N-15. This is consistent with the idea that the functional groups carrying these isotopic anomalies, nitriles and amines, were formed by ion-molecule chemistry in the protosolar nebula, Theoretical models of interstellar fractionation at low temperatures predict large enrichments in both D and N-15 and can account for the largest isotopic enrichments measured in carbonaceous meteorites. However, more recent measurements have shown that, in some primitive samples, a large N-15 enrichment does not correlate with one in D, and that some D-enriched primitive material displays little, if any, N-15 enrichment. By considering the spin-state dependence in ion-molecule reactions involving the ortho and para forms of H2, we show that ammonia and related molecules can exhibit such a wide range of fractionation for both N-15 and D in dense cloud cores. We also show that while the nitriles, HCN and HNC, contain the greatest N=15 enrichment, this is not expected to correlate with extreme D enrichment. These calculations therefore support the view that solar system N-15 and D isotopic anomalies have an interstellar heritage. We also compare our results to existing astronomical observations and briefly discuss future tests of this model.
Wirstrom, Eva S.↗
Isotopic Anomalies in Primitive Solar System Matter: Spin-State Dependent Fractionation of Nitrogen and Deuterium in Interstellar Clouds
Organic material found in meteorites and interplanetary dust particles is enriched in D and N-15, This is consistent with the idea that the functional groups carrying these isotopic anomalies, nitriles and amines, were formed by ion-molecule chemistry in the protosolar core. Theoretical models of interstellar fractionation at low temperatures predict large enrichments in both D and N-15 and can account for the largest isotop c enrichments measured in carbonaceous meteorites, However, more recent measurements have shown that, in some primitive samples, a large N-15 enrichment does not correlate with one in D, and that some D-enriched primitive material displays little, if any, N-15 enrichment. By considering the spin-state dependence in ion-molecule reactions involving the ortho and para forms of H2, we show that ammonia and related molecules can exhibit such a wide range of fractionation for both N-15 and D in dense cloud cores, We also show that while the nitriles, HCN and HNC, contain the greatest N-15 enrichment, this is not expected to correlate with extreme D emichment. These calculations therefore support the view that Solar System N-15 and D isotopic anomalies have an interstellar heritage, We also compare our results to existing astronomical observations and briefly discuss future tests of this model.
Wirstrom, Eva S.↗
Understanding the Existence of a Na 2 Dimer in a High-Spin State
The recent observation of a high-spin Na 2 dimer formed on the surface of liquid helium nanodroplets raises some fundamental questions, as the ground state of Na 2 is known to have zero spin. Is it protected against spontaneous dissociation? What is its binding energy and interatomic distance? Is it stable at a higher temperature? Using calculations based on density functional theory (with and without long-range interaction) and coupled cluster methods, CCSD(T), we show that the bonding in the high-spin Na 2 dimer is governed by van der Waals interaction with binding energy (bond length) varying between −0.030 eV (5.108 Å) and −0.192 eV (4.231 Å), depending on the computational method used. Thus, the experimental method used by Kresin and coworkers can be very useful to study larger metastable high-spin clusters such as Li 4 which was predicted in 1985 to have a tetrahedral structure carrying a magnetic moment of 2 μ B , while its ground state is planar and nonmagnetic.
Basis sets↗
Coexistence of low and high spin states in La 18 Co 28 Pb 3
The electronic structure and magnetic properties of a newly predicted stable ternary compound La 18 Co 28 Pb 3 are studied using electronic structure analysis. The ground state of this compound is ferromagnetic, with three positions of nonequivalent magnetic Co atoms. A strong dependence of magnetic properties on volume shows that this system is situated near the point of magnetic instability. The coexistence of high- and low-spin ferromagnetic states as a function of volume near equilibrium was discovered. A corresponding spin tunneling splitting was estimated. The stability of the theoretically predicted magnetic ground state was tested by varying the Hubbard parameter. The thermal spin fluctuations were added to estimate the paramagnetic moment and a Curie temperature. Finally, the necessity of experimental verification of the obtained results is emphasized.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Influence of Peripheral Substituents on Fe(II) Spin State in Complexes with Tridentate Schiff‐Base Ligands
Abstract Six Fe(II) complexes with substituted 6‐((quinoline‐8‐ylimino)methyl)phenolates (R 2 qsal) were synthesized. X‐ray crystal structure determination for [Fe(R 2 qsal) 2 ], where R=F ( 1 ), Cl ( 2 ), Br ( 3 ), I ( 4 ), CF 3 /H ( 5 ), or CN/H ( 6 ), revealed mononuclear complexes that crystallize either solvent‐free in case of 1 , 5 , and 6 or as CH 2 Cl 2 solvates in the case of 2 , 3 , and 4 . Complexes 1 – 4 , which contain π‐donating substituents, exhibit only high‐spin (HS) state, as shown by crystal structure analysis and magnetic measurements. In contrast, complexes 5 and 6 , which contain electron‐withdrawing substituents, exist in the low‐spin (LS) state at lower temperatures but exhibit crossover to the HS state above 300 K. Electronic structure calculations show a good correlation between the relative energies of the LS and HS states and the experimentally observed behavior.
Gakiya‐Teruya, Miguel↗
Resonant spin states and the anomalous rotation of Mercury.
Resonant spin and anomalous rotation of Mercury, analyzing influence of tidal degradation and permanent deformation of planet
Sonett, C. P.↗
Nanoscale Tracking of the High-Temperature Spin-State Transition in LaCoO 3
The high-temperature spin and electronic transitions in LaCoO 3 have recently been leveraged to create neuromorphic (brain-inspired) devices. While these devices have shown the potential for impactful functionality in next-generation computing systems, the nanoscale dynamics of the spin and electronic transitions that underlie their operation are not well understood. Inhomogeneities related to interfaces, electrode contacts, strain, and crystal defects can all affect device performance, making nanoscale characterization of the transitions essential for producing consistent and reliable devices. Here, we demonstrate the first nanoscale in situ measurement of the spin transition in LaCoO 3 at device-relevant temperatures (25–325 °C) over length scales of tens of nanometers using STEM-EELS. This measurement is enabled by an Al 2 O 3 coating, which prevents unwanted reduction of the LaCoO 3 specimen at high temperature and vacuum. The detailed understanding of LaCoO 3 transition dynamics enabled by such measurements will be crucial for optimizing LaCoO 3 -based neuromorphic devices and increasing reliability for real-world application.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Probing the antiferromagnetic long-range order with Glauber spin states
It is well known that the ground state of low-dimensional antiferromagnets deviates from Neel states due to strong quantum fluctuations. Even in the presence of long-range order, those fluctuations produce a substantial reduction of the magnetic moment from its saturation value. Numerical simulations in anisotropic antiferromagnetic chains suggest that quantum fluctuations over Neel order appear in the form of localized reversal of pairs of neighboring spins. In this paper, we propose a coherent state representation for the ground state to describe the above situation. In the one-dimensional case, our wave function corresponds to a two-mode Glauber state, when the Neel state is used as a reference, while the boson fields are associated to coherent flip of spin pairs. The coherence manifests itself through the antiferromagnetic long-range order that survives the action of quantum fluctuations. The present representation is different from the standard zero-point spin wave state, and is asymptotically exact in the limit of strong anisotropy. The fermionic version of the theory, obtained through the Jordan-Wigner transformation, is also investigated.
Cabrera, Guillermo G.↗
The spin state and homogeneity of Comet Halley's nucleus
The present model of the spin rate of Comet Halley, which takes the form of an excited, axially symmetric rotator with prolate spheroid shape, accommodates both the imaging data from the Vega and Giotto encounters and a range of ground-based data for CN jets and shells, C2 production rates, and photometric variability. The model ratio of moments-of-inertia maxima to minima, at 2.28, implies a nearly constant density distribution throughout its interior. One of the five localized areas on the nucleus which dominate the activity observed appears to be uniquely responsible for the initiation of CN-shell boundaries which propagate through the coma, and may be indicative of either large-scale chemical inhomogeneity or a surface region with unusual physical structure.
Belton, Michael J. S.↗
Equation-of-state spinning fluids in the Einstein-Cartan theory
The relativistic fluid equations may be completed in two physically distinct methods. One method assumes the mass, rho, (or particle number) is conserved, while the other method assumes an equation of state of the form P = P(rho). A variational principle for the mass conservation method both with and without an intrinsic spin for the fluid was constructed earlier (Ray and Smalley, 1982 and 1983). A variational principle for the fluid described by an equation of state both with and without spin is formulated. In all cases the variational principle is set in the Einstein-Cartan metric-torsion U4 geometry. The results for general relativity follow as a special case.
Ray, John R.↗
Chloride, Alkoxide, or Silicon: The Bridging Ligand Dictates the Spin State in Dicobalt Expanded Pincer Complexes
We report the synthesis and characterization of a series of high- and low-spin dicobalt complexes of the tBu PNNP expanded pincer ligand. Reacting this dinucleating ligand in its neutral form with two equiv of CoCl 2 (tetrahydrofuran) 1.5 yields a high-spin dicobalt complex featuring one Co inside and one Co outside of the dinucleating pocket. Performing the same reaction in the presence of two equivalents of KOtBu provides access to a high-spin dicobalt complex wherein both Co centers are bound within the PNNP pocket, and this complex also features a bridging OtBu ligand. Reacting either of the high-spin complexes with excess diethyl silane affords a low-spin dicobalt complex containing two unusual bridging Si-based ligands. These complexes were investigated using NMR spectroscopy, XAS, single crystal X-ray structure determination, and computational methods, showing that the Si-based ligands are best described as base-stabilized silylenes.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Electrical Control of the Nuclear Spin States of Rare-Earth Adatoms
Rare-earth adatoms on surfaces have been studied for potential atomic-scale magnetic storage, quantum sensing, and quantum computing applications. Despite accumulating experimental efforts, a comprehensive description of the electronic configurations of the adatoms remains elusive. Here, we investigate two charge states and several electronic configurations, including 5d and 6s valence shells, for a Sm adatom on a MgO substrate using multiconfigurational ab initio methods, for the possibility of using the Sm nuclear spin levels as qubits. For the configurations in a neutral charge state, we find that the electronic ground state is a singlet, and thus the hyperfine interaction associated with the 147 Sm nucleus is absent, which may greatly enhance nuclear spin coherence time. The degeneracy of the nuclear levels is lifted by the nuclear quadrupole interaction. We show that the splitting of the nuclear levels can be controlled by a static electric field, and that Rabi oscillations between the nuclear levels can be induced by a time-dependent electric field. For the configurations in a singly charged state, electronic Kramers doublets are formed. The electronic configurations including an unpaired 6s orbital exhibit a strong hyperfine Stark effect due to a large Fermi contact contribution to the hyperfine interaction. In these configurations, electric-field-induced Rabi oscillations between the electronic-nuclear levels can occur at frequencies up to 3 orders of magnitude higher than those for the neutral charge state. The proposed system may be experimentally observed within scanning tunneling microscopy.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dressed-State Hamiltonian Engineering in a Strongly Interacting Solid-State Spin Ensemble
In quantum science applications, ranging from many-body physics to quantum metrology, dipolar interactions in spin ensembles are often controlled via Floquet engineering. However, this technique typically reduces the interaction strength between spins and effectively weakens the coupling to a target sensing field, limiting the metrological sensitivity. In this Letter, we develop and demonstrate an alternative method that directly tunes the native dipolar interaction in an ensemble of nitrogen-vacancy (NV) centers in diamond, thereby overcoming these limitations inherent to Floquet engineering. Our approach utilizes dressed-state qubit encoding under a bias magnetic field applied perpendicular to the crystal lattice orientation. This method leads to a 3.2× enhancement of the dimensionless coherence parameter JT 2 compared to state-of-the-art Floquet engineering and a 2.6× (8.3 dB) enhanced sensitivity in ac magnetometry. Furthermore, our results provide a powerful Hamiltonian engineering tool for future studies with NV ensembles and other interacting higher-spin (S > $\frac{1}{2}$) systems.
Quantum control↗
Spin State and Moment of Inertia of Venus
Fundamental properties of the planet Venus, such as its internal mass dis-tribution and variations in length of day, have remained unknown. We usedEarth-based observations of radar speckles tied to the rotation of Venus ob-tained in 2006–2020 to measure its spin axis orientation, spin precession rate,moment of inertia, and length-of-day variations. Venus is tilted by 2.6392±0.0008 degrees (1σ) with respect to its orbital plane. The spin axis precessesat a rate of 44.58±3.3 arcseconds per year (1σ), which gives a normalized mo-ment of inertia of 0.337±0.024 and yields a rough estimate of the size of thecore. The average sidereal day on Venus in the 2006–2020 interval is 243.0226±0.0013 Earth days (1σ). The spin period of the solid planet exhibits variationsof 61 ppm (∼20 minutes) with a possible diurnal or semidiurnal forcing. Thelength-of-day variations imply that changes in atmospheric angular momentumof at least∼4% are transferred to the solid planet.
Jean-Luc Margot↗
Spin‐State and Clustering Effects in Fe‐Complex Negolytes for Near‐Neutral Aqueous Redox Flow Batteries
Cost-effective redox-active materials are essential for advancing redox flow batteries (RFBs). Iron, with its abundance and suitability as a redox couple, is a promising candidate; however, achieving stable and fast redox reactions in aqueous RFBs remains a challenge. Here, this study presents an Fe-based negolyte stabilized by a hexadentate ligand, where Fe–ligand bonds are enhanced through intermolecular interactions. The sulfonate-substituted Fe complex exhibits a formal potential of −0.44 V versus Ag/AgCl and an exceptionally high rate constant of 0.69 cm s −1 . Near-neutral RFBs incorporating 0.5 M Fe complex show excellent cycling stability, with no discernible capacity fading over 300 cycles. This performance is attributed to intermolecular hydrogen bonds that reinforce Fe–ligand coordination and promote the formation of stable trimeric clusters. Operando electrochemical Raman spectroscopy and density functional theory reveal that π-backdonation from Fe(II) to the imino-phenolate moiety further stabilizes the complex after reduction. In contrast, the hydroxyl-substituted complex exhibits inferior stability due to weaker hydrogen bonding and less pronounced π-backdonation. These findings underscore the importance of ligand design and intermolecular interactions in developing cost-effective, high-performance redox-active materials for aqueous RFBs.
36 MATERIALS SCIENCE↗