Tuning spin-density separation via finite-range interactions: dimensionality-driven signatures in dynamic structure factors

Using quantum Monte Carlo simulations along with higher-order spin-wave theory, bond-operator and strong-coupling expansions, we analyse the dynamical spin structure factor of the spin-half Heisenberg model on the square-lattice bilayer. We identify distinct contributions from the low-energy Goldstone modes in the magnetically ordered phase and the gapped triplon modes in the quantum disordered phase. In the antisymmetric (with respect to layer inversion) channel, the dynamical spin structure factor exhibits a continuous evolution of spectral features across the quantum phase transition, connecting the two types of modes. Instead, in the symmetric channel we find a depletion of the spectral weight when moving from the ordered to the disordered phase. While the dynamical spin structure factor does not exhibit a well-defined distinct contribution from the amplitude (or Higgs) mode in the ordered phase, we identify an only marginally-damped amplitude mode in the dynamical singlet structure factor, obtained from interlayer bond correlations, in the vicinity of the quantum critical point. These findings provide quantitative information in direct relation to possible neutron or light scattering experiments in a fundamental two-dimensional quantum-critical spin system.

Kitaev's model of spins interacting on a honeycomb lattice describes a quantum spin-liquid, where an emergent static $\mathbb{Z}_2$ gauge field is coupled to Majorana fermions. In the presence of an external magnetic field and for a range of interaction strengths, the system behaves as a gapped, non-Abelian quantum spin-liquid. In this phase, the vortex excitations of the emergent $\mathbb{Z}_2$ gauge field have Majorana zero modes bound to them. Motivated by recent experimental progress in measuring and characterizing real materials that could exhibit spin-liquid behavior, we analytically calculate the dynamical spin structure factor in the non-Abelian phase of the Kitaev's honeycomb model. In particular, we treat the case of quenched disorder in the vortex configurations. Our calculations reveal a peak in the low-energy dynamical structure factor that is a signature of the spin-liquid behavior. We map the effective Hamiltonian to that of a chiral p-wave superconductor by using the Jordan-Wigner transformation. Subsequently, we analytically calculate the wave functions of the Majorana zero modes, the energy splitting for finite separation of the vortices and finally, the dynamical structure factor in presence of quenched disorder.

We consider the spin-$\frac{1}{2}$ anisotropic $XY$ chain in a transverse $(z)$ field with the Dzyaloshinskii-Moriya interaction directed along the $z$ axis in spin space to examine the effect of the Dzyaloshinskii-Moriya interaction on the $zz$, $xx$, and $yy$ dynamic structure factors. Using the Jordan-Wigner fermionization approach we analytically calculate the dynamic transverse spin structure factor. It is governed by a two-fermion excitation continuum. We analyze the effect of the Dzyaloshinskii-Moriya interaction on the two-fermion excitation continuum. Other dynamic structure factors which are governed by many-fermion excitations are calculated numerically. We discuss how the Dzyaloshinskii-Moriya interaction manifests itself in the dynamic properties of the quantum spin chain at various fields and temperatures.

We investigate various dynamic structure factors for harmonic and anharmonic chains. For harmonic chains with mass disorder we find some unexpected features, such as a fine structure contributing to a central peak, which is present also in the spatial spectra of the eigenfunctions. These results are contrasted with structure factors of Lyapunov modes obtained for the disordered Lennard-Jones chain. For this nonlinear system the static and the dynamic Lyapunov structure factors show opposite trends in their temperature dependence.

We describe a theory for the calculation of the generalized dynamic structure factor S(k,omega) as measured by an inelastic x-ray scattering (IXS) experiment on single-component molecular or polyatomic molecular fluids. IXS spectrum of a simple fluid is proportional to the dynamic structure factor of a single species of atom. In the case of a molecular fluid, however, IXS spectrum is a weighted sum of partial dynamic structure factors of pairs of atomic species. The weighting factors are products of the atomic form factors of the pairs. We call this weighted average dynamic structure factor the generalized dynamic structure factor. We extend the formalism of a three effective eigenmode theory (TEE) developed previously for simple fluids to derive an approximate evolution equation for the generalized dynamic structure factor, which can be considered as a generalized hydrodynamic equation for molecular fluids. As examples, we first study the contributions of the partial dynamic structure factor to the generalized dynamic structure factor computed from molecular dynamics simulation of SPC/E model water. We found that the generalized dynamic structure factor of water measured by IXS can be well approximated by the center of mass or the oxygen atom dynamic structure factors. The generalized TEE model was then employed to analyze IXS spectra of nearly fully hydrated dilauroylphosphatidylcholine. The theory is able to fit all of the spectra in the k range from 5 to 32 nm(-1) quantitatively and gives their deconvoluted generalized dynamic structure factors.

The dynamic critical behavior of isotropic Heisenberg ferromagnets with a planar free surface is investigated by means of field-theoretic renormalization group techniques and high-precision computer simulations. An appropriate semi-infinite extension of the stochastic model J is constructed. The relevant boundary terms of the action of the associated dynamic field theory are identified, the implied boundary conditions are derived, and the renormalization of the model in $d<6$ bulk dimensions is clarified. Two distinct renormalization schemes are utilized. The first is a massless one based on minimal subtraction of dimensional poles and the dimensionality expansion about $d=6.$ To overcome its problems in going below $d=4$ dimensions, a massive one for fixed dimensions $d<~4$ is constructed. The resulting renormalization group (or Callan-Symanzik) equations are exploited to obtain the scaling forms of surface quantities like the dynamic structure factor. In conjunction with boundary operator expansions scaling relations follow that relate the critical indices of the dynamic and static infrared singularities of surface quantities to familiar static bulk and surface exponents. To test the predicted scaling forms and scaling-law expressions for the critical exponents involved, accurate computer-simulation data are presented for the dynamic surface structure factor. These are in conformity with our predictions.

Continuing our study of interrupted diffusion, we consider the problem of a particle executing a random walk interspersed with localized oscillations during its halts (e.g., at lattice sites). Earlier approaches proceedvia approximation schemes for the solution of the Fokker-Planck equation for diffusion in a periodic potential. In contrast, we visualize a two-state random walk in velocity space with the particle alternating between a state of flight and one of localized oscillation. Using simple, physically plausible inputs for the primary quantities characterising the random walk, we employ the powerful continuous-time random walk formalism to derive convenient and tractable closed-form expressions for all the objects of interest: the velocity autocorrelation, generalized diffusion constant, dynamic mobility, mean square displacement, dynamic structure factor (in the Gaussian approximation), etc. The interplay of the three characteristic times in the problem (the mean residence and flight times, and the period of the ‘local mode’) is elucidated. The emergence of a number of striking features of oscillatory diffusion (e.g., the local mode peak in the dynamic mobility and structure factor, and the transition between the oscillatory and diffusive regimes) is demonstrated.

Numerical investigations of the vibrational eigenmodes of amorphous NixZr100-x alloys are presented. Structural models are prepared by molecular dynamics simulations of the quenching processes, based on interatomic forces derived using a tight-binding-bond approach. The vibrational properties are investigated via a direct diagonalization of the dynamical matrix for N=729-atom models, and via recursion calculations of the vibrational spectral functions, partial and total dynamical structure factors and vibrational densities of states for large N=2916-atom models. The static structure of the NixZr100-x glasses is characterized by a pronounced chemical and topological short-range order (SRO). We investigate in detail the manifestation of the SRO in the partial dynamic spectral functions and structure factors SIJ(k, omega ). We discuss the possibility of measuring partial dynamic structure factors using inelastic neutron scattering and demonstrate that our results are in good agreement with the existing experimental data on the total dynamical structure factors. We show that, although most eigenmodes are extended, localized modes can be found at the upper and lower edges of the frequency spectrum. Of particular interest is the prediction of low-energy localized modes, which have a profound influence on the low-temperature thermodynamic properties.

Considers a quantum 'conserving' approximation evaluation of the Van Hove dynamic liquid structure factor, S(q, omega ), in normal fluids. For a degenerate Fermi liquid the approximation simplifies to the generalised random phase approximation. Providing certain 'stability conditions' are obeyed, the 'conserving' S(q, omega ) will manifestly satisfy the f-sum rule, obey the detailed-balance condition and be positive for all values of omega . Also presents a detailed numerical evaluation of S(q, omega ) (and S(q)) for a model boson system and obtains S(q, omega ) in terms of the sum of a large number of weighted delta functions of omega which are then widened-out until they overlap sufficiently to produce a smooth curve. The results qualitatively resemble the behaviour of many monatomic fluids in so far as well-defined Rayleigh and Brillouin peaks are observed for low q and that for high q, the impulse approximation result is obtained.

The identification of spin-nematic states is challenging due to the absence of Bragg peaks. However, the study of dynamical physical quantities provides a promising avenue for characterizing these states. In this study, we investigate the dynamical properties of spin-nematic states in three-dimensional quantum spin systems in a magnetic field, using a two-component boson theory that incorporates magnons and bimagnons. Our particular focus lies on the dynamical spin structure factor at zero temperature and the nuclear magnetic resonance (NMR) relaxation rate at finite temperatures. Our findings reveal that the dynamical structure factor does not exhibit any diverging singularity across momentum and frequency while providing valuable information about the form factor of bimagnon states and the underlying structure of spin-nematic order. Furthermore, we find a temperature dependence in the NMR relaxation rate proportional to T3 at low temperatures, similar to canted antiferromagnets. A clear distinction arises as there is no critical divergence of the NMR relaxation rate at the spin-nematic transition temperature. Our theoretical framework provides a comprehensive understanding of the excitation spectrum and the dynamical properties of spin-nematic states, covering arbitrary spin values S and encompassing site and bond nematic orders. Additionally, we apply the same methodology to analyze these dynamical quantities in a canted antiferromagnetic state and compare the results with those in the spin-nematic states. Published by the American Physical Society 2024

The Jordan-Wigner transformation is known as a powerful tool in condensed matter theory, especially in the theory of low-dimensional quantum spin systems. The aim of this chapter is to review the application of the Jordan-Wigner fermionization technique for calculating dynamic quantities of low-dimensional quantum spin models. After a brief introduction of the Jordan-Wigner transformation for one-dimensional spin one-half systems and some of its extensions for higher dimensions and higher spin values we focus on the dynamic properties of several low-dimensional quantum spin models. We start from the famous s=1/2 XX chain. As a first step we recall well-known results for dynamics of the z-spin-component fluctuation operator and then turn to the dynamics of the dimer and trimer fluctuation operators. The dynamics of the trimer fluctuations involves both the two-fermion (one particle and one hole) and the four-fermion (two particles and two holes) excitations. We discuss some properties of the two-fermion and four-fermion excitation continua. The four-fermion dynamic quantities are of intermediate complexity between simple two-fermion (like the zz dynamic structure factor) and enormously complex multi-fermion (like the xx or xy dynamic structure factors) dynamic quantities. Further we discuss the effects of dimerization, anisotropy of XY interaction, and additional Dzyaloshinskii-Moriya interaction on various dynamic quantities. Finally we consider the dynamic transverse spin structure factor $S_{zz}({\bf{k}},\omega)$ for the s=1/2 XX model on a spatially anisotropic square lattice which allows one to trace a one-to-two-dimensional crossover in dynamic quantities.

Quantum to classical crossover is a fundamental question in dynamics of quantum many-body systems. In frustrated magnets, for example, it is highly non-trivial to describe the crossover from the classical spin liquid with a macroscopically-degenerate ground-state manifold, to the quantum spin liquid phase with fractionalized excitations. This is an important issue as we often encounter the demand for a sharp distinction between the classical and quantum spin liquid behaviors in real materials. Here we take the example of the classical spin liquid in a frustrated magnet with novel bond-dependent interactions to investigate the classical dynamics, and critically compare it with quantum dynamics in the same system. In particular, we focus on signatures in the dynamical spin structure factor. Combining Landau-Lifshitz dynamics simulations and the analytical Martin-Siggia-Rose (MSR) approach, we show that the low energy spectra are described by relaxational dynamics and highly constrained by the zero mode structure of the underlying degenerate classical manifold. Further, the higher energy spectra can be explained by precessional dynamics. Surprisingly, many of these features can also be seen in the dynamical structure factor in the quantum model studied by finite-temperature exact diagonalization. We discuss the implications of these results, and their connection to recent experiments on frustrated magnets with strong spin-orbit coupling.

The momentum distribution and dynamical structure factor in a weakly interacting Bose gas with a time-dependent periodic modulation in terms of the Bogoliubov treatment are investigated. The evolution equation related to the Bogoliubov weights happens to be a solvable Mathieu equation when the coupling strength is periodically modulated. An exact relation between the time derivatives of momentum distribution and dynamical structure factor is derived, which indicates that the single-particle property is strongly related to the two-body property in the evolutions of Bose–Einstein condensates. It is found that the momentum distribution and dynamical structure factor cannot display periodical behavior. For stable dynamics, some particular peaks in the curves of momentum distribution and dynamical structure factor appear synchronously, which is consistent with the derivative relation.

We investigate how three-body interactions affect the elementary excitations and dynamic structure factor of a Bose—Einstein condensate trapped in a one-dimensional optical lattice. To this end, we numerically solve the Gross-Pitaevskii equation and then the corresponding Bogoliubov equations. Our results show that three-body interactions can change both the Bogoliubov band structure and the dynamical structure factor dramatically, especially in the case of the two-body interaction being relatively small. Furthermore, when the optical lattice is strong enough, the analytical results, combined with the sum-rule approach, help us to understand that: the effects of three-body interactions on the static structure factor can be significantly amplified by an optical lattice. Our predictions should be observable within the current Bragg spectroscopy experiment.

Sum rules for the dynamic structure factors are powerful tools to explore the collective behaviors in many-body systems at zero temperature as well as at finite temperatures. The recent remarkable realization of synthetic spin-orbit (SO) coupling in quantum gases is opening up new perspective to study the intriguing SO effects with ultracold atoms. So far, a specific type of SO coupling, which is generated by a pair of Raman laser beams, has been experimentally achieved in Bose-Einstein condensates of 87Rb and degenerate Fermi gases of 40K and 6Li. In the presence of SO coupling, the dynamic structure factors for the density fluctuation and spin fluctuation satisfy different sum rules. In particular, in the two-component quantum gases with inter-species Raman coupling, the f-sum rule for the spin fluctuation has an additional term proportional to the transverse spin polarization. Due to the coupling between the momentum and spin, the first moment of the dynamic structure factor does not necessarily possess the inversion symmetry, which is in strong contrast to the conventional system without SO coupling. Such an asymmetric behavior could be observed in both Fermi gases and Bose gases with Raman coupling. As a demonstration, we focus on the uniform case at zero temperature in this work. For the non-interacting Fermi gases, the asymmetric first moment appears only when the Raman detuning is finite. The asymmetric amplitude is quite limited, and it vanishes at both zero detuning and infinite detuning. For the weakly interacting Bose gases, the first moment is asymmetric in momentum space even at zero detuning, when the ground state spontaneously breaks the Z2 symmetry in the plane-wave condensation phase. Using the Bogoliubov method, the dynamic structure factor and its first moment are explicitly calculated for various interaction parameters. We find that the asymmetric behavior in the spin channel could be much more significant than in the density channel, and the asymmetric amplitude is enhanced as the interaction strength increases. Experimentally, the dynamic structure factors can be directly measured through the two photon Bragg scattering. Numeric simulations show that to observe the deviation of inversion symmetry in the first moment, the resolution of the Bragg spectroscopy should reach a required value. For the typical parameters of the rubidium atomic gas, the required resolution is about 10-2Er with Er being the recoil energy. Our predictions can be tested in the future experiment.