We present a dynamical mean-field study of antiferromagnetic magnons in a one-, two-, and three-orbital Hubbard model of square and bcc cubic lattice at intermediate coupling strength. We investigate the effect of anisotropy introduced by an external magnetic field or single-ion anisotropy. For the latter we tune continuously between the easy-axis and easy-plane models. We also analyze a model with spin-orbit coupling in cubic site-symmetry setting. The ordered states as well as the magnetic excitations are sensitive to even a small breaking of $SU(2)$ symmetry of the model and follow the expectations of spin-wave theory as well as general symmetry considerations.
We present a dynamical mean-field study of antiferromagnetic magnons in a one-, two-, and three-orbital Hubbard model of square and bcc cubic lattice at intermediate coupling strength. We investigate the effect of anisotropy introduced by an external magnetic field or single-ion anisotropy. For the latter we tune continuously between the easy-axis and easy-plane models. We also analyze a model with spin-orbit coupling in cubic site-symmetry setting. The ordered states as well as the magnetic excitations are sensitive to even a small breaking of SU(2) symmetry of the model and follow the expectations of spin-wave theory as well as general symmetry considerations.
The XXZ model on a square lattice in the presence of a transverse magnetic field is studied within the spin-wave theory to investigate the resulting canted antiferromagnet. The small- and large-field regimes are probed separately both for easy-axis and easy-plane scenarios which reveal an unentangled factorized ground state at an intermediate value of the field. Goldstone modes are obtained for the field-free XY antiferromagnet as well as for the isotropic antiferromagnet with field up to its saturation value. Moreover, for an easy-plane anisotropy, we find that there exists a nonzero field, where magnon degeneracy appears as a result of restoration of a U(1) sublattice symmetry and that, across that field, there occurs a magnon band crossing. For completeness, we then obtain the system phase diagram for S=1/2 via large-scale quantum Monte Carlo simulations using the stochastic series expansion technique. Our numerical method is based on a quantization of spin along the direction of the applied magnetic field and does not suffer from a sign problem, unlike comparable algorithms based on a spin quantization along the axis of anisotropy. With this formalism, we are also able to obtain powder averages of the transverse and longitudinal magnetizations, which may be useful for understanding experimental measurements on polycrystalline samples.
We investigate the quantum dynamics of the spins on different Heisenberg antiferromagnetic spin lattice systems. Firstly, we applied the coupled-cluster method to the spin-1/2 antiferromagnetic \emph{XXZ} model on a square lattice by employing an approximation which contains two-body long-range correlations and high-order four-body local correlations. Improvement is found for the ground-state energy, sublattice magnetization, and the critical anisotropy when comparing with the approximation including the two-body correlations alone. We also obtain the full excitation spectrum which is in good agreement with the quantum Monte Carlo results and the high-order spin-wave theory.Secondly, we study the longitudinal excitations of quantum antiferromagnets on a triangular lattice by a recently proposed microscopic many-body approach based on magnon-density waves. We calculate the full longitudinal excitation spectra of the antiferromagnetic Heisenberg model for a general spin quantum number in the isotropic limit. Similar to the square lattice model, we find that, at the center of the first hexagonal Brillouin zone Γ(q=0) and at the magnetic ordering wavevectors ±[Q=(4π/3,0)], the excitation spectra become gapless in the thermodynamic limit, due to the slow, logarithmic divergence of the structure factor. However, these longitudinal modes on two-dimensional models may be considered as quasi-gapped, as any finite-size effect or small anisotropy will induce a large energy gap, when compared with the counterpart of the transverse spin-wave excitations. We have also investigated the excited states of the quasi-one-dimensional quantum antiferromagnets on hexagonal lattices, including the longitudinal modes based on the magnon-density waves. A model Hamiltonian with a uniaxial single-ion anisotropy is first studied by a spin-wave theory based on the one-boson method; the ground state thus obtained is employed for the study of the longitudinal modes. The full energy spectra of both the transverse modes (i.e., magnons) and the longitudinal modes are obtained as functions of the nearest-neighbor coupling and the anisotropy constants. We have found two longitudinal modes due to the non-collinear nature of the triangular antiferromagnetic order, similar to that of the phenomenological field theory approach by Affleck. The excitation energy gaps due to the anisotropy and the energy gaps of the longitudinal modes without anisotropy are then investigated. We then compares our results for the longitudinal energy gaps at the magnetic wavevectors with the experimental results for several antiferromagnetic compounds with both integer and non-integer spin quantum numbers, and we find good agreements after the higher-order contributions are included in our calculations.
This thesis investigates exotic phases of matter in magnetic materials that present anisotropic properties in two dimensions. Using the microscopic spin Hamiltonians, the study addresses two problems: (i) the appearance of a novel class of magnetic excitations in the spectra of anisotropic magnets at zero temperature, and (ii) the quantum-to-classical correspondence of spins for the description of magnetic solids in the disordered phase above the critical temperature. Different analytical and numerical means are used to this purpose.In the first part, motivated by experimental observations of multipolar excitations in afamily of strongly-anisotropic van der Waals antiferromagnets, we have developed ageneral theory for these excitations as a distinct type of quasi-particles. We called themlongitudinal magnons. They appear in easy-axis magnetic materials, and are characterized by the quantum number Sz = ±2S. They can exist as coherent long-lived excitations for D ≥ |J|, where D and J are the typical single-ion and exchange coupling constants, respectively. Starting with the strong-coupling limit, this work presented different approaches to compute the dispersion of longitudinal magnons. First, a mapping to an effective spin-1/2 model was performed and illustrated for several lattice spin models: the honeycomb-lattice zigzag antiferromagnet and the square-lattice ferro- and antiferromagnet. The excitation energy was derived for different spin values S = 1, 3/2, 2and 5/2. Second, a thorough study explored the S = 1 anisotropic square-lattice, wherethe analytical results of the effective model are compared to the multi-boson spin-wavetheory, the linked-cluster calculations in antiferromagnetic coupling J > 0, and the exactsolution of the two-magnon problem in ferromagnetic coupling J < 0. In the limit of largeJ/D, the longitudinal magnons start to overlap with the multi-magnon continuum, andtheir finite lifetime can be computed using the multi-boson theory, which is specificallyshown for two-magnon decay processes in S = 1. Moreover, critical values of J/D forthe stability of longitudinal magnons are obtained along high-symmetry lines of the Brillouin zone. Third, we investigated the appearance and condensation of the longitudinal magnons in triangular S = 1 antiferromagnets under high magnetic field. As suggested by recent experiments on a candidate material, a spin nematic phase may appear upon condensation of the multipolar excitations, opening the way for realizations of new phases of matter in classically-ordered magnets.In the second part, the correspondence between quantum and classical spins is investigated for spin Hamiltonians at finite temperature. Given a model of quantum spins, it is useful to determine the classical model that best describes its thermodynamics, which is of interest for semi-classical analyses, e.g. by classical Monte Carlo methods. Based on high-temperature series expansions, we established the scaling laws of the different microscopic constants in a quantum spin model, involving quadratic and biquadratic exchange interactions, single-ion anisotropy and the Zeeman energy. We showed that quantum corrections to the thermodynamic quantities are power series in S(S + 1). Subsequently, the findings were applied to numerically determine the phase transition temperature in several ferro- and antiferromagnetic compounds, using classical Monte Carlo simulations. To this aim, the lattice spin models were constructed with microscopic coupling constants from the literature, and the transition temperatures were compared to the experimental values.This illuminates complex collective magnetic behaviors in different models and materials.
We investigate the magnetic orders and excitations in a half-filled Hubbard model that continuously interpolates between the Lieb and kagome lattices. Using the self-consistent Hartree-Fock approximation combined with the Bethe-Salpeter equation in the random phase approximation, we map the U − t ′ phase diagram of the Lieb-kagome lattices and compute real-frequency transverse spin susceptibilities, i.e., the magnon spectra. Dynamical mean-field theory and exact diagonalization are used as complementary checks of static magnetic phases. In particular, besides gapless Goldstone magnons, the symmetry-broken ferrimagnetic and antiferromagnetic phases also exhibit gapped Higgs magnon bands, which originate from amplitude fluctuations in the order parameter characterizing spontaneous symmetry breaking.
The antiferromagnetic phase of two-dimensional (2D) and three-dimensional (3D) Hubbard model with nearest neighbor hopping is studied on a bipartite cubic lattice by means of the quantum $\mathrm{SU}(2)\ifmmode\times\else\texttimes\fi{}\mathrm{U}(1)$ rotor approach that yields a fully self-consistent treatment of the antiferromagnetic state that respects the symmetry properties of the model and satisfy the Mermin-Wagner theorem. The collective variables for charge and spin are isolated in the form of the space-time fluctuating U(1) phase field and rotating spin-quantization axis governed by the SU(2) symmetry, respectively. As a result interacting electrons appear as composite objects consisting of bare fermions with attached U(1) and SU(2) gauge fields. An effective action consisting of a spin-charge rotor and a fermionic field is derived as a function of the Coulomb repulsion U and hopping parameter t. At zero temperature, our theory describes the evolution from a Slater (U⪡t) to a Mott-Heisenberg (U⪢t) antiferromagnet. The results for zero-temperature sublatice magnetization (2D) and finite temperature (3D) phase diagram of the antiferromagnetic Hubbard model as a function of the crossover parameter U∕t are presented and the role of the spin Berry phase in the interaction driven crossover is analyzed.
We investigate the single-particle dynamics and magnetic properties in the two-orbital Hubbard model on the square lattice at quarter filling by using a cluster extension of dynamical mean field theory. We find that the Fermi-liquid state is stabilized up to the large intra- and inter-orbital interactions in the symmetric case without Hund's coupling. It is clarified that the Hund's coupling enhances the antiferro-orbital fluctuations, which gives rise to the pseudo gap behavior in the single-particle excitations. We also find that the Hund's coupling with intermediate strength causes the competition between the Fermi-liquid formation and the antiferro-orbital fluctuations, resulting in the nonmonotonous temperature dependence in the single-particle dynamics.