Spin Model Research Articles

Distribution of angular momenta ML and MS in non-relativistic configurations: statistical analysis using cumulants and Gram-Charlier series

Abstract The distributions P(ML,MS) of the total magnetic quantum numbers ML and MS for N electrons of angular momentum l, as well as the enumeration of LS spectroscopic terms and spectral lines, are crucial for the calculation of atomic structure and spectra, in particular for the modeling of emission or absorption properties of hot plasmas. However, no explicit formula for P(ML,MS) is known yet. In the present work, we show that the generating function for the cumulants, which characterize the distribution, obeys a recurrence relation, similar to the Newton-Girard identities relating elementary symmetric polynomials to power sums. This enables us to provide an explicit formula for the generating function. We also analyze the possibility of representing the P(ML,MS) distribution by a bi-variate Gram-Charlier series, which coefficients are obtained from the knowledge of the exact moments of P(ML,MS). It is shown that a simple approximation is obtained by truncating this series to the first few terms, though it is not convergent.

Real-space thermalization of locally driven quantum magnets

Real-space thermalization of locally driven quantum magnets

Exotic phases induced by RKKY interaction in the square lattice

We study a model of Ising spins in which direct exchange interactions compete with the Ruderman-Kittel-Kasuya-Yosida (RKKY) coupling, which may arise effectively from itinerant electrons. We consider the model in the two-dimensional square lattice and focus on values of the RKKY coupling constant (JRKKY) and the Fermi momentum (kF) that induce strong frustration. We study the low-temperature magnetic field phase diagram using Monte Carlo simulations, considering several nearest neighbors in the RKKY interaction. Magnetic frustration yields a rich phase diagram with a variety of exotic phases. We compute the structure factors and define appropriate order parameters to describe the transitions. We also discuss the validity of the approximation made for long-range couplings and analytically demonstrate the change in the coexistence lines in the phase diagram by including up to the tenth nearest neighbors.

Sum rule for fluctuations of work.

We study the fluctuations of work caused by applying cyclic perturbations and obtain an exact sum rule satisfied by the moments of work for a broad class of quantum stationary ensembles. In the case of the canonical ensemble, the sum rule reproduces the Jarzynski equality. The sum rule can also be simplified into a linear relationship between the work average and the second moment of work, which we numerically confirm via an exact diagonalization of a spin model system.

(C5H9NH3)2CuBr4 : A metal-organic two-ladder quantum magnet

Low-dimensional quantum magnets are a versatile materials platform for studying the emergent many-body physics and collective excitations that can arise even in systems with only short-range interactions. Understanding their low-temperature structure and spin Hamiltonian is key to explaining their magnetic properties, including unconventional quantum phases, phase transitions, and excited states. We study the metal-organic coordination compound (C5H9NH3)2CuBr4 and its deuterated counterpart, which upon its discovery was identified as a candidate two-leg quantum (S=12) spin ladder in the strong-leg coupling regime. By growing large single crystals and probing them with both bulk and microscopic techniques, we deduce that two previously unknown structural phase transitions take place between 136 and 113 K. The low-temperature structure has a monoclinic unit cell that gives rise to two inequivalent spin ladders. We further confirm the absence of long-range magnetic order down to 30 mK and investigate the implications of this two-ladder structure for the magnetic properties of (C5H9NH3)2CuBr4 by analyzing our own specific-heat and susceptibility data. Published by the American Physical Society 2024

Magnetic hexadecylamine-graphene quantum dots-silver nanoparticle nanocomposite as adsorbents for the removal of phenanthrene and bacteria from aqueous solution

In this study, novel multifunctional magnetic silver nanoparticles complexed with hexadecylamine-functionalized sulfur- and nitrogen-co-doped graphene quantum dots (AgNPs@Fe3O4-C16SNGQDs) were tested for the removal of phenanthrene and as antibacterial agents from an aqueous solution. The resulting materials were successfully applied as adsorbents and antibacterial agents in batch adsorption and disk diffusion tests. An average Brunauer–Emmett–Teller (BET) surface area of 83.7 and 85.3 m2/g was obtained for AgNPs@Fe3O4 and AgNPs@Fe3O4-C16SNGQDs, respectively. Accordingly, adsorption capacity evaluated using the Langmuir adsorption isotherm was found to be 4097.7 and 5965.7 mg/g for AgNPs@Fe3O4 and AgNPs@Fe3O4-C16SNGQDs, respectively, after 24 h mixing time. The modification of AgNPs@Fe3O4 with C16-SNGQDs facilitated higher adsorption performance at ambient temperature, which is more sustainable and cost-effective when considering large-scale use. Furthermore, C16-SNGQDs showed increased antibacterial activity against negatively charged bacterial strains, whereas AgNPs@Fe3O4-C16SNGQDs showed enhanced inhibition against gram-positive bacteria. Hence, multifunctional nanoparticles have the potential for microbial and chemical pollution remediation and could significantly improve current water treatment methods.

Two-axis twisting using Floquet-engineered XYZ spin models with polar molecules.

Polar molecules confined in an optical lattice are a versatile platform to explore spin-motion dynamics based on strong, long-range dipolar interactions1,2. The precise tunability3 of Ising and spin-exchange interactions with both microwave and d.c. electric fields makes the molecular system particularly suitable for engineering complex many-body dynamics4-6. Here we used Floquet engineering7 to realize new quantum many-body systems of polar molecules. Using a spin encoded in the two lowest rotational states of ultracold 40K87Rb molecules, we mutually validated XXZ spin models tuned by a Floquet microwave pulse sequence against those tuned by a d.c. electric field through observations of Ramsey contrast dynamics. This validation sets the stage for the realization of Hamiltonians inaccessible with static fields. In particular, we observed two-axis twisting8 mean-field dynamics, generated by a Floquet-engineered XYZ model using itinerant molecules in two-dimensional layers. In the future, Floquet-engineered Hamiltonians could generate entangled states for molecule-based precision measurement9 or could take advantage of the rich molecular structure for quantum simulation of multi-level systems10,11.

Time–energy distribution of photoelectron from atomic states with different magnetic quantum numbers in elliptically polarized laser fields

Abstract A Wigner-distribution-like (WDL) function based on the strong-field approximation (SFA) theory is used to investigate the ionization time of the photoelectron emitted from the initial states with different magnetic quantum number m in elliptically polarized electric fields. The saddle-point method is adopted for comparisons. For different m states, a discrepancy exists in the WDL distributions of the photoelectrons emitted in a direction close to the major axis of the laser field ellipse. Based on the saddle-point analysis, this discrepancy can be ascribed to the interference between electrons ionized from two tunneling instants. Our results show that the relationships between the tunneling instants and kinetic energy of photoelectrons are the same for different m initial states when the Coulomb potential is not considered. Our work sheds some light on the ionization-time information of electrons from different magnetic quantum states.

Quantum subspace expansion in the presence of hardware noise

Finding ground state energies on current quantum processing units (QPUs) using algorithms such as the variational quantum eigensolver (VQE) continues to pose challenges. Hardware noise severely affects both the expressivity and trainability of parameterized quantum circuits, limiting them to shallow depths in practice. Here, we demonstrate that both issues can be addressed by synergistically integrating VQE with a quantum subspace expansion, allowing for an optimal balance between quantum and classical computing capabilities and costs. We perform a systematic benchmark analysis of the iterative quantum-assisted eigensolver in the presence of hardware noise. We determine ground state energies of 1D and 2D mixed-field Ising spin models on noisy simulators and the IBM QPUs ibmq_quito (5 qubits) and ibmq_guadalupe (16 qubits). To maximize accuracy, we propose a suitable criterion to select the subspace basis vectors according to the trace of the noisy overlap matrix. Finally, we show how to systematically approach the exact solution by performing controlled quantum error mitigation based on probabilistic error reduction on the noisy backend fake_guadalupe.

A quantum-enhanced magnetometer using a single high-spin nucleus in silicon

Abstract Quantum enhanced metrology has the potential to go beyond the standard quantum limit and eventually to the ultimate Heisenberg bound. In particular, quantum probes prepared in nonclassical coherent states have recently been recognized as a useful resource for metrology. Hence, there has been considerable interest in constructing magnetic quantum sensors that combine high resolution and high sensitivity. Here, we explore a nanoscale magnetometer with quantum-enhanced sensitivity, based on 123Sb (I = 7/2) nuclear spin doped in silicon, that takes advantage of techniques of spin-squeezing and coherent control. With the optimal squeezed initial state, the magnetic field sensitivity may be expected to approach 6 aT⋅Hz−1/2⋅cm−3/2 and 603 nT⋅Hz−1/2 at the single-spin level. This magnetic sensor may provide a novel sensitive and high-resolution route to microscopic mapping of magnetic fields as well as other applications.

Crafting copper complexes of variable nuclearity and coordination geometry through solvent tailoring: Unveiling novel structure, magnetic insight and computational marvels

The solvent tuning technique has been employed to synthesize two new copper complexes [Cu3(L)(NO3)2(DMSO)4] (1) and [Cu6(L)2(NO3)2(DMF)4(H2O)2(µ-HCOO)2] (2) which display variable nuclearity and coordination geometries. The synthesized complexes further characterized by using spectroscopic, single crystal and powder X-ray diffraction techniques. Supramolecular assembly of the complexes in the solid state is stabilized by a range of intermolecular interactions including O-H⋅⋅⋅O, C-H⋅⋅⋅O, π⋅⋅⋅π and C-H⋅⋅⋅π. Magnetic susceptibility measurements (χT vs T curves) over a wide range of temperature indicate dominant antiferromagnetic interactions between the Cu(II) centres in both complexes, while DFT calculations reveal the nature and amplitude of the main magnetic interactions. Theoretical study further shows strong antiferromagnetic interactions inside the trimeric units of both complexes as well as both weak ferro- and antiferromagnetic interactions among the trimers. The so-obtained J values have been employed to fit the χT vs T curves, using simplified spin models which correctly reproduce the main features of the experimental curves. Thus, this combined experimental and theoretical study provides insight into the magnetic structure of the copper complexes.

Jordan–Wigner transformation constructed for spinful fermions at S=1/2 spins in one dimension

ABSTRACT An exact Jordan–Wigner type of transformation is presented in 1D connecting spin-1/2 operators to spinful canonical Fermi operators. The transformation contains two free parameters allowing a broad interconnection possibility between spin models and fermionic models containing spinful Fermi operators.

Construction of topological quantum magnets from atomic spins on surfaces.

Artificial quantum systems have emerged as platforms to realize topological matter in a well-controlled manner. So far, experiments have mostly explored non-interacting topological states, and the realization of many-body topological phases in solid-state platforms with atomic resolution has remained challenging. Here we construct topological quantum Heisenberg spin lattices by assembling spin chains and two-dimensional spin arrays from spin-1/2 Ti atoms on an insulating MgO film in a scanning tunnelling microscope. We engineer both topological and trivial phases of the quantum spin model and thereby realize first- and second-order topological quantum magnets. We probe the many-body excitations of the quantum magnets by single-atom electron spin resonance with an energy resolution better than 100 neV. Making use of the atomically localized magnetic field of the scanning tunnelling microscope tip, we visualize various many-body topological bound modes including topological edge states, topological defects and higher-order corner modes. Our results provide a bottom-up approach for the simulation of exotic quantum many-body phases of interacting spins.

Hidden collective oscillations in a disordered mean-field spin model with non-reciprocal interactions

Abstract We study the effect of introducing separable quenched disorder on a non-equilibrium mean-field spin model exhibiting a phase transition to an oscillating state in the absence of disorder, due to non-reciprocal interactions. In the disordered model, the magnetisation and its time derivative no longer carry the signature of the phase transition to an oscillating state. However, thanks to the separable (Mattis-type) form of the disorder, the presence of oscillations can be revealed by introducing a specific, disorder-dependent observable. We also introduce generalised linear and non-linear susceptibilities associated either with the magnetisation or with its time derivative. While linear susceptibilities show no sign of a phase transition, the third-order susceptibilities present a clear signature of the onset of an oscillating phase. In addition, we show that the overlap distribution also provides evidence for the presence of oscillations, without explicit knowledge of the disorder.

Sparsity-Independent Lyapunov Exponent in the Sachdev-Ye-Kitaev Model.

The saturation of a recently proposed universal bound on the Lyapunov exponent has been conjectured to signal the existence of a gravity dual. This saturation occurs in the low-temperature limit of the dense Sachdev-Ye-Kitaev (SYK) model, N Majorana fermions with q body (q>2) infinite-range interactions. We calculate certain out-of-time-order correlators (OTOCs) for N≤64 fermions for a highly sparse SYK model and find no significant dependence of the Lyapunov exponent on sparsity up to near the percolation limit where the Hamiltonian breaks up into blocks. This provides strong support to the saturation of the Lyapunov exponent in the low-temperature limit of the sparse SYK. A key ingredient to reaching N=64 is the development of a novel quantum spin model simulation library that implements highly optimized matrix-free Krylov subspace methods on graphical processing units. This leads to a significantly lower simulation time as well as vastly reduced memory usage over previous approaches, while using modest computational resources. Strong sparsity-driven statistical fluctuations require both the use of a much larger number of disorder realizations with respect to the dense limit and a careful finite size scaling analysis. The saturation of the bound in the sparse SYK points to the existence of a gravity analog that would enlarge substantially the number of field theories with this feature.

High-topological-number skyrmions with tunable diameters in two-dimensional frustrated J1−J2 magnets

Skyrmions are intriguing quasiparticles in the field of condensed matter due to their unique physics and promising applications in spintronic devices. However, despite abundant studies on skyrmions with a topological charge of Q = 1, there have been only few on those with higher Q (≥2) due to their intrinsic instability in Dzyaloshinskii–Moriya interaction (DMI) systems. In this work, applying the frustrated J1−J2 Heisenberg spin model, we investigate the stability of high-Q skyrmions and the manipulation of their diameters in a hexagonal close-packed lattice through atomistic simulations and first-principles calculations. First, three spin textures, called spiral, skyrmion, and ferromagnetic, are identified by varying (J1, J2), and it is shown that skyrmions with higher Q can occupy a wider range of (J1, J2) values. The diameter of the skyrmions can then be finely tuned using the frustration strength (|J2/J1|), the single-ion anisotropy (K), and an external magnetic field (B). As B increases, the high-Q skyrmions split into skyrmions with smaller Q and can be annihilated by a larger B. Furthermore, we find that the CoCl2 monolayer satisfies the criteria for a frustrated J1−J2 magnet, and its magnetic behaviors align with the aforementioned conclusions. In addition, high-Q skyrmions are identified in the CoCl2 monolayer, and the corresponding energy barriers for skyrmion collapse are investigated. Our findings pave the way for prospective spintronic applications based on high-Q and nanoscale skyrmionic textures.

Crystal Growth, Structure, and Diverse Magnetic Behaviors in Frustrated Triangular Lattice REBO3 (RE = Tb-Yb).

Triangular lattice (TL) materials are a rich playground for investigating exotic quantum spin states and related applications in quantum computing and quantum information. Millimeter-level single crystals of REBO3 (RE = Tb-Yb) with a nearly perfect RE-based TL have been successfully grown via a high-temperature flux method and structurally characterized via single-crystal X-ray diffraction. These 113-type materials crystallize in a monoclinic crystal system with a C2/c space group. Anisotropic magnetism and dominant antiferromagnetic interactions are found for the above materials based on DC magnetic susceptibility measurements. The comprehensive low-temperature specific heat data of REBO3 (RE = Tb-Tm) are characterized on single crystals for the first time, which exhibit diverse magnetic behaviors. Specifically, two weak-field-induced transitions could be found in the case of DyBO3 based on the specific heat measurements. Our results suggest that REBO3 (RE = Tb-Yb) is a TL magnetic system for investigating potential quantum magnetism.

TNSP: A framework supporting symmetry and fermion tensors for tensor network state methods

Recent advancements have established tensor network states (TNS) as formidable tools for exploring the complex realm of strongly-correlated many-particle systems in both one and two dimensions. To tackle the challenges presented by strongly-correlated fermion systems, various fermion tensor network states (f-TNS) methodologies have been developed. However, implementing f-TNS methods poses substantial challenges due to their particularly complex nature, making development efforts significantly difficult. This complexity is further exacerbated by the lack of underlying software packages that facilitate the development of f-TNS. Previously, we developed TNSPackage, a software package designed for TNS methods [1]. Initially, this package was only capable of handling spin and boson models. To confront the challenges presented by f-TNS, TNSPackage has undergone significant enhancements in its latest version, incorporating support for both symmetry and fermion tensors. This updated version provides a uniform interface for the consistent management of tensors across boson, fermion, and various symmetry types, maintaining its user-friendly and versatile nature. This greatly facilitates the development of programs based on f-TNS. The new TNSP framework consists of two principal components: a low-level tensor package named TAT, which supports sophisticated tensor operations, and a high-level interface package called tetragono that is built upon TAT. The tetragono package is designed to significantly simplify the development of complex physical models on square lattices. The TNSPackage framework enables users to implement a wide range of physical models with greater ease, without the need to pay close attention to the underlying implementation details.

Anomalous continuum scattering and higher-order van Hove singularity in the strongly anisotropic S = 1/2 triangular lattice antiferromagnet

The S = 1/2 triangular lattice antiferromagnet (TLAF) is a paradigmatic example of frustrated quantum magnetism. An ongoing challenge involves understanding the influence of exchange anisotropy on the collective behavior within such systems. Using inelastic neutron scattering (INS) and advanced calculation techniques, we have studied the low and high-temperature spin dynamics of Ba2La2CoTe2O12 (BLCTO): a Co2+-based Jeff = 1/2 TLAF that exhibits 120° order below TN = 3.26 K. We determined the spin Hamiltonian by fitting the energy-resolved paramagnetic excitations measured at T > TN, revealing exceptionally strong easy-plane XXZ anisotropy. Below TN, the excitation spectrum exhibits a high energy continuum having a larger spectral weight than the single-magnon modes, suggesting a scenario characterized by a spinon confinement length that markedly exceeds the lattice spacing. We conjecture that this phenomenon arises from the proximity to a quantum melting point, even under strong easy-plane XXZ anisotropy. Finally, we highlight characteristic flat features in the excitation spectrum, which are connected to higher-order van Hove singularities in the magnon dispersion directly induced by easy-plane XXZ anisotropy. Our results provide a rare experimental insight into the nature of highly anisotropic S = 1/2 TLAFs between the Heisenberg and XY limits.

Time-reversal in a dipolar quantum many-body spin system

Time reversal in a macroscopic system contradicts daily experience. It is practically impossible to restore a shattered cup to its original state by just time reversing the microscopic dynamics that led to its breakage. Yet, with the precise control capabilities provided by modern quantum technology, the unitary evolution of a quantum system can be reversed in time. Here, we implement a time-reversal protocol in a dipolar interacting, isolated many-body spin system represented by Rydberg states in an atomic gas. By changing the states encoding the spin, we flip the sign of the interaction Hamiltonian, and demonstrate the reversal of the relaxation dynamics of the magnetization by letting a demagnetized many-body state evolve back in time into a magnetized state. We elucidate the role of atomic motion using the concept of a Loschmidt echo. Finally, by combining the approach with Floquet engineering, we demonstrate time reversal for a large family of spin models with different symmetries. Our method of state transfer is applicable across a wide range of quantum simulation platforms and has applications far beyond quantum many-body physics, reaching from quantum-enhanced sensing to quantum information scrambling. Published by the American Physical Society 2024