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Cristian D. Batista

Publications and source records attributed to Cristian D. Batista.

At least 55 records · Page 3Linked to original sources

Cubic Double Perovskites Host Noncoplanar Spin Textures

Magnetic materials with noncoplanar magnetic structures can show unusual physical properties driven by nontrivial topology. Topologically-active states are often multi-q structures, which are challenging to stabilize in models and to identify in materials. Here, we use inelastic neutron-scattering experiments to show that the insulating double perovskites Ba2YRuO6 and Ba2LuRuO6 host a noncoplanar 3-q structure on the face-centered cubic lattice. Quantitative analysis of our neutron-scattering data reveals that these 3-q states are stabilized by biquadratic interactions. Our study identifies double perovskites as a highly promising class of materials to realize topological magnetism, elucidates the stabilization mechanism of the 3-q state in these materials, and establishes neutron spectroscopy on powder samples as a valuable technique to distinguish multi-q from single-q states, facilitating the discovery of topologically-nontrivial magnetic materials.

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Langevin dynamics of generalized spins as SU($N$) coherent states

Classical models of spin systems traditionally retain only the dipole moments, but a quantum spin state will frequently have additional structure. Spins of magnitude $S$ have $N=2S+1$ levels. Alternatively, the spin state is fully characterized by a set of $N^{2}-1$ local physical observables, which we interpret as generalized spin components. For example, a spin with $S=1$ has three dipole components and five quadrupole components. These components evolve under a generalization of the classical Landau-Lifshitz dynamics, which can be extended with noise and damping terms. In this paper, we reformulate the dynamical equations of motion as a Langevin dynamics of SU($N$) coherent states in the Schrödinger picture. This viewpoint is especially useful as the basis for an efficient numerical method to sample spin configurations in thermal equilibrium and to simulate the relaxation and driven motion of topological solitons. To illustrate the approach, we simulate a non-equilibrium relaxation process that creates CP$^{2}$ Skyrmions, which are topological defects with both dipole and quadrupole character.

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Machine learning assisted derivation of effective low energy models for metallic magnets

We consider the problem of extracting an effective low-energy spin model from a Kondo Lattice Model (KLM) with classical localized moments. The non-analytic dependence of the effective spin-spin interactions on the Kondo exchange $J$ excludes the possibility of using perturbation theory beyond the second order Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction at zero temperature. Here we introduce a Machine Learning (ML) assisted protocol to extract effective two- and four-spin interactions by integrating out the conduction electrons of the original KLM. The resulting effective spin model reproduces the phase diagram obtained with the original KLM as a function of magnetic field and easy-axis anisotropy and reveals the effective four-spin interactions that are responsible for the field induced skyrmion crystal phase. Moreover, this minimal spin model enables an efficient computation of static and dynamical properties with a much lower numerical cost relative to the original KLM. A comparison of the dynamical spin structure factor in the fully polarized phase computed with the effective model and the original KLM reveals a good agreement for the magnon dispersion despite the fact that this information was not included in the training data set.

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BCS-BEC Crossover of Triplet Exciton Condensation in Bilayer Systems

We study the BCS-BEC crossover phenomenon of triplet exciton condensation using a half-filled bilayer Hubbard model. We calculate the dynamical spin structure factor and the exciton wave function on the phase boundary between the antiferromagnetically ordered and disordered phases. In the BCS regime, the formation and condensation of particle-hole bound states, namely excitons, occur simultaneously at the phase transition point, and the exciton wave function is extended in real space. In the BEC regime, on the other hand, bound states are well defined over the whole Brillouin zone also in the disordered phase, and the size of particle-hole pairs is smaller than a lattice space. Quantum criticality of charge-spin-orbital entangled states can emerge from intermediate coupling materials in the crossover regime.

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Geometric integration of classical spin dynamics via a mean-field Schrödinger equation

The Landau-Lifshitz equation describes the time-evolution of magnetic dipoles, and can be derived by taking the classical limit of a quantum mechanical spin Hamiltonian. To take this limit, one constrains the many-body quantum state to a tensor product of coherent states, thereby neglecting entanglement between sites. Expectation values of the quantum spin operators produce the usual classical spin dipoles. One may also consider expectation values of polynomials of the spin operators, leading to quadrupole and higher-order spin moments, which satisfy a dynamical equation of motion that generalizes the Landau-Lifshitz dynamics [Zhang and Batista, Phys. Rev. B 104, 104409 (2021)]. Here, we reformulate the dynamics of these $N^2-1$ generalized spin components as a mean-field Schrödinger equation on the $N$-dimensional coherent state. This viewpoint suggests efficient integration methods that respect the local symplectic structure of the classical spin dynamics.

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Understanding temperature-dependent SU($3$) spin dynamics in the $S=1$ antiferromagnet Ba$_2$FeSi$_2$O$_7$

Quantum magnets admit more than one classical limit and $N$-level systems with strong single-ion anisotropy are expected to be described by a classical approximation based on SU($N$) coherent states. Here we test this hypothesis by modeling finite temperature inelastic neutron scattering (INS) data of the effective spin-one antiferromagnet \bfso{}. The measured dynamic structure factor is calculated with a generalized Landau-Lifshitz dynamics for SU($3$) spins. Unlike the traditional classical limit based on SU($2$) coherent states, the results obtained with classical SU($3$) spins are in good agreement with the measured temperature-dependent spectrum. The SU($3$) approach developed here provides a general framework to understand the broad class of materials comprising weakly coupled antiferromagnetic dimers, trimers, or tetramers, and magnets with strong single-ion anisotropy.

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Schwinger boson theory of ordered magnets

The Schwinger boson theory provides a natural path for treating quantum spin systems with large quantum fluctuations. In contrast to semi-classical treatments, this theory allows us to describe a continuous transition between magnetically ordered and spin liquid states, as well as the continuous evolution of the corresponding excitation spectrum. The square lattice Heisenberg antiferromagnet is one of the first models that was approached with the Schwinger boson theory. Here we revisit this problem to reveal several subtle points that were omitted in previous treatments and that are crucial to further develop this formalism. These points include the freedom for the choice of the saddle point (Hubbard-Stratonovich decoupling and choice of the condensate) and the $1/N$ expansion in the presence of a condensate. A key observation is that the spinon condensate leads to Feynman diagrams that include contributions of different order in $1/N$, which must be accounted to get a qualitatively correct excitation spectrum. We demonstrate that a proper treatment of these contributions leads to an exact cancellation of the single-spinon poles of the dynamical spin structure factor, as expected for a magnetically ordered state. The only surviving poles are the ones arising from the magnons (two-spinon bound states), which are the true collective modes of an ordered magnet.

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CP$^2$ Skyrmions and Skyrmion Crystals in Realistic Quantum Magnets

Magnetic skyrmions are nanoscale topological textures that have been recently observed in different families of quantum magnets. These textures are known as CP$^1$ skyrmions because the target manifold of the magnetization field is the 2D sphere $S^2 \cong$ CP$^{1}$. Here we report the emergence of magnetic CP$^2$ skyrmions in realistic spin-$1$ models. Unlike CP$^1$ skyrmions, CP$^2$ skyrmions can also arise as metastable textures of quantum paramagnets, opening a new road to discover emergent topological solitons in non-magnetic materials. The quantum phase diagram of the spin-$1$ models also includes magnetic field-induced CP$^2$ skyrmion crystals that can be detected with regular momentum- (diffraction) and real-space (Lorentz transmission electron microscopy) experimental techniques.

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Classical spin dynamics based on SU($N$) coherent states

We introduce a classical limit of the dynamics of quantum spin systems based on coherent states of SU($N$), where $N$ is the dimension of the local Hilbert space. This approach, that generalizes the well-known Landau-Lifshitz dynamics from SU(2) to SU($N$), provides a better approximation to the exact quantum dynamics for a large class of realistic spin Hamiltonians, including $S \geq 1$ systems with large single-ion anisotropy and weakly-coupled multi-spin units, such as dimers or trimers. We illustrate this idea by comparing the spin structure factors of a single-ion $S=1$ model that are obtained with the SU(2) and SU(3) classical spin dynamics against the exact solution.

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Decay and renormalization of a longitudinal mode in a quasi-two-dimensional antiferromagnet

An ongoing challenge in the study of quantum materials, is to reveal and explain collective quantum effects in spin systems where interactions between different modes types are important. Here we approach this problem through a combined experimental and theoretical study of interacting transverse and longitudinal modes in an easy-plane quantum magnet near a continuous quantum phase transition. Our inelastic neutron scattering measurements of Ba$_{2}$FeSi$_{2}O$_{7}$ reveal the emergence, decay, and renormalization of a longitudinal mode throughout the Brillouin zone. The decay of the longitudinal mode is particularly pronounced at the zone center. To account for the many-body effects of the interacting low-energy modes in anisotropic magnets, we generalize the standard spin-wave theory. The measured mode decay and renormalization is reproduced by including all one-loop corrections. The theoretical framework developed here is broadly applicable to quantum magnets with more than one type of low energy mode.

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Variational study of the Kitaev-Heisenberg-Gamma model

We compute the low-energy excitation spectrum and the dynamical spin structure factor of the Kitaev-Heisenberg-Gamma model through a variational approach based on the exact fractionalized excitations of the pure Kitaev honeycomb model. This novel approach reveals the physical reason for the asymmetric stability of the Kitaev spin liquid phases around the ferromagnetic and antiferromagnetic Kitaev limits. Moreover, we demonstrate that the fractionalized excitations form bound states in specific regions of each Kitaev spin liquid phase and that certain phase transitions induced by Heisenberg and Gamma interactions are driven by the condensation of such a bound state. Remarkably, this bound state appears as a sharp mode in the dynamical spin structure factor, while its condensation patterns at the appropriate phase transitions provide a simple explanation for the magnetically ordered phases surrounding each Kitaev spin liquid phase.

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Theory of the Kitaev model in a [111] magnetic field

Recent numerical studies indicate that the antiferromagnetic Kitaev honeycomb lattice model undergoes a magnetic-field-induced quantum phase transition into a new spin-liquid phase. This intermediate-field phase has been previously characterized as a gapless spin liquid. By implementing a recently developed variational approach based on the exact fractionalized excitations of the zero-field model, we demonstrate that the field-induced spin liquid is gapped and belongs to Kitaev's 16-fold way. Specifically, the low-field non-Abelian liquid with Chern number $C=\pm 1$ transitions into an Abelian liquid with $C=\pm 4$. The critical field and the field-dependent behaviors of key physical quantities are in good quantitative agreement with published numerical results. Furthermore, we derive an effective field theory for the field-induced critical point which readily explains the ostensibly gapless nature of the intermediate-field spin liquid.

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Exciton condensation in bilayer spin-orbit insulator

We investigate the nature of the magnetic excitations of a bilayer single-orbital Hubbard model in the intermediate-coupling regime. This model exhibits a quantum phase transition (QPT) between a paramagnetic (PM) and an insulating antiferromagnetic (AFM) phase at a critical value of the coupling strength. By using the random phase approximation, we show that the QPT is continuous when the PM state is a band insulator and that the corresponding quantum critical point (QCP) arises from the condensation of preformed excitons. These low-energy excitons reemerge on the other side of the QCP as the transverse and longitudinal modes of the AFM state. In particular, the longitudinal mode remains sharp for the model parameters relevant to Sr$_{3}$Ir$_{2}$O$_{7}$ because of the strong easy-axis anisotropy of this material.

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Meron, skyrmion, and vortex crystals in centrosymmetric tetragonal magnets

The recent experimental confirmation of a transformation between meron and skyrmion topological spin textures in the chiral magnet Co$_8$Zn$_9$Mn$_3$ [S.-Z. Lin et al., Phys. Rev. B 91, 224407 (2015); X. Z. Yu et al., Nature 564, 95 (2018)] confirms that the skyrmion crystals discovered in 2009 [S. Mühlbauer et al., Science 323, 915 (2009)] are just the tip of the iceberg. Crystals of topological textures, including skyrmions, merons, vortices, and monopoles, can be stabilized by combining simple physical ingredients, such as lattice symmetry, frustration, and spin anisotropy. The current challenge is to find the combinations of these ingredients that produce specific topological spin textures. Here we report a simple mechanism for the stabilization of meron, skyrmion, and vortex crystals in centrosymmetric tetragonal magnets. In particular, the meron/skyrmion crystals can form even in absence of magnetic field. The application of magnetic field leads to a rich variety of topological spin textures that survive in the long wavelength limit of the theory. When conduction electrons are coupled to the spins, these topological spin textures twist the electronic wave functions to induce Chern insulators and Weyl semimetals for specific band filling fractions.

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Quantum annealing simulation of out-of-equilibrium magnetization in a spin-chain compound

Geometrically frustrated spin-chain compounds such as Ca3Co2O6 exhibit extremely slow relaxation under a changing magnetic field. Consequently, both low-temperature laboratory experiments and Monte Carlo simulations have shown peculiar out-of-equilibrium magnetization curves, which arise from trapping in metastable configurations. In this work we simulate this phenomenon in a superconducting quantum annealing processor, allowing us to probe the impact of quantum fluctuations on both equilibrium and dynamics of the system. Increasing the quantum fluctuations with a transverse field reduces the impact of metastable traps in out-of-equilibrium samples, and aids the development of three-sublattice ferrimagnetic (up-up-down) long-range order. At equilibrium we identify a finite-temperature shoulder in the 1/3-to-saturated phase transition, promoted by quantum fluctuations but with entropic origin. This work demonstrates the viability of dynamical as well as equilibrium studies of frustrated magnetism using large-scale programmable quantum systems, and is therefore an important step toward programmable simulation of dynamics in materials using quantum hardware.

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Observation of 4- and 6-magnon bound-states in the spin-anisotropic frustrated antiferromagnet FeI$_2$

Spin-waves e.g. magnons are the conventional elementary excitations of ordered magnets. However, other possibilities exist. For instance, magnon bound-states can arise due to attractive magnon-magnon interactions and drastically impact the static and dynamic properties of materials. Here, we demonstrate a zoo of distinct multi-magnon quasiparticles in the frustrated spin-1 triangular antiferromagnet FeI$_2$ using time-domain terahertz spectroscopy. The energy-magnetic field excitation spectrum contains signatures of one-, two-, four- and six-magnon bound-states, which we analyze using an exact diagonalization approach for a dilute gas of interacting magnons. The two-magnon single-ion bound states occur due to strong anisotropy and the preponderance of even higher order excitations arises from the tendency of the single-ion bound states to themselves form bound states due to their very flat dispersion. This menagerie of tunable interacting quasiparticles provides a unique platform in a condensed matter setting that is reminiscent of the few-body quantum phenomena central to cold-atom, nuclear, and particle physics experiments.

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Constraining the Parameter Space of a Quantum Spin Liquid Candidate in Applied Field with Iterative Optimization

The quantum spin liquid (QSL) state is an exotic state of matter featuring a high degree of entanglement and lack of long-range magnetic order in the zero-temperature limit. The triangular antiferromagnet YbMgGaO4 is a candidate QSL host, and precise determination of the Hamiltonian parameters is critical to understanding the nature of the possible ground states. However, the presence of chemical disorder has made directly measuring these parameters challenging. Here we report neutron scattering and magnetic susceptibility measurements covering a broad range of applied magnetic field at low temperature. Our data shows a field-induced crossover in YbMgGaO4, which we reproduce with complementary classical Monte Carlo and Density Matrix Renormalization Group simulations. Neutron scattering data above and below the crossover reveal a shift in scattering intensity from M to K points and, collectively, our measurements provide essential characteristics of the phase crossover that we employ to strictly constrain proposed magnetic Hamiltonian parameters despite the chemical disorder. Constrained exchange parameters further suggest the material's proximity to the QSL state in the clean limit. More broadly, our approach demonstrates a means of pursuing QSL candidates where Hamiltonian parameters might otherwise be obscured by disorder.

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Machine Learning Assisted Insight to Spin Ice Dy$_2$Ti$_2$O$_7$

Complex behavior poses challenges in extracting models from experiment. An example is spin liquid formation in frustrated magnets like Dy$_2$Ti$_2$O$_7$. Understanding has been hindered by issues including disorder, glass formation, and interpretation of scattering data. Here, we use a novel automated capability to extract model Hamiltonians from data, and to identify different magnetic regimes. This involves training an autoencoder to learn a compressed representation of three-dimensional diffuse scattering, over a wide range of spin Hamiltonians. The autoencoder finds optimal matches according to scattering and heat capacity data and provides confidence intervals. Validation tests indicate that our optimal Hamiltonian accurately predicts temperature and field dependence of both magnetic structure and magnetization, as well as glass formation and irreversibility in Dy$_2$Ti$_2$O$_7$. The autoencoder can also categorize different magnetic behaviors and eliminate background noise and artifacts in raw data. Our methodology is readily applicable to other materials and types of scattering problems.

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