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arXiv:2311.08099

Nonuniform quadrupolar orders in the spin-3/2 generalized Heisenberg chain

Jie Chen, Shijie Hu, Lihui Pan, Xiaoqun Wang

Published Nov 14, 2023• 1 citation
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Abstract

The generation of nonuniform quadrupole states plays a crucial role in understanding various fascinating phenomena observed in the advancement of several research areas, e.g., multiferroic compounds, nonmagnetic superconductors, etc. In this work, we investigate the ground-state phase diagram of a generalized spin-3/2 bilinear-biquadratic-bicubic Heisenberg chain in the representation of multipolar operators. By numerical simulations with the large-scale density-matrix renormalization group (DMRG) method, we successfully identify a tetramerization phase and a stripe-Q phase. These phases are characterized by the emergence of nonuniform quadrupole orders resulting from the spontaneous breaking of translation symmetry. In particular, tetramerization phase refers to the quadrupole operators take a four-cycle, while the stripe-Q phase represents a striped pattern in quadrupole operators. Additionally, we demonstrate the presence of a Wess-Zumino-Witten (WZW) model with level k = 1 at the transition point between the dimerized (DM) phase and the Luttinger liquid (LL) phase, based on strong numerical findings.

DOI
10.48550/arxiv.2311.08099

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The generation of nonuniform quadrupole states plays a crucial role in understanding various fascinating phenomena observed in the advancement of several research areas, e.g., multiferroic compounds, nonmagnetic superconductors, etc. In this work, we investigate the ground-state phase diagram of a generalized spin-3/2 bilinear-biquadratic-bicubic Heisenberg chain in the representation of multipolar operators. By numerical simulations with the large-scale density-matrix renormalization group (DMRG) method, we successfully identify a tetramerization phase and a stripe-Q phase. These phases are characterized by the emergence of nonuniform quadrupole orders resulting from the spontaneous breaking of translation symmetry. In particular, tetramerization phase refers to the quadrupole operators take a four-cycle, while the stripe-Q phase represents a striped pattern in quadrupole operators. Additionally, we demonstrate the presence of a Wess-Zumino-Witten (WZW) model with level k = 1 at the transition point between the dimerized (DM) phase and the Luttinger liquid (LL) phase, based on strong numerical findings.
Nematic order is an exotic property observed in several strongly correlated systems, such as iron-based superconductors. Using large-scale density matrix renormalization group (DMRG) techniques, we study at zero temperature the nematic spin liquid that competes with spin dipolar and quadrupolar orders. We use these nematic orders to characterize different quantum phases and quantum phase transitions. More specifically, we study a spin-1 bilinear-biquadratic Heisenberg model on the square lattice with couplings beyond nearest neighbors. We focus on parameter regions around the highly symmetric SU(3)SU(3)SU(3) point where the bilinear and biquadratic interactions are equal. With growing further-neighbor biquadratic interactions, we identify different spin dipolar and quadrupolar orders. We find that the DMRG results for cylindrical geometries correctly detect nematicity in different quantum states and accurately characterize the quantum phase transitions among them. Therefore, spin-driven nematicity, here defined as the spontaneous breaking of the lattice invariance under a ${90}^{\ensuremath{\circ}}$ rotation, is an order parameter which can be studied directly in DMRG calculations in two dimensions in different quantum states.
The ground state phase diagram of the spin-1/2 Heisenberg frustrated ∆-chain with a ferromagnetic main chain is investigated.In addition to the ferromagnetic phase, various nonmagnetic ground states are found.If the ferromagnetic coupling between apical spins and the main chain is strong, this model is approximated by a spin-1 bilinear-biquadratic chain and the spin quadrupolar phase with spin-2 gapless excitation is realized in addition to the Haldane and ferromagnetic phases.In the regime where the coupling between the apical spins and the main chain is weak, the numerical results which suggest the possibility of a series of phase transitions among different nonmagnetic phases are obtained.Physical pictures of these phases are discussed based on the numerical results.
The ground state phase diagram of the spin-1/2 Heisenberg frustrated ΔΔΔ-chain with a ferromagnetic main chain is investigated. In addition to the ferromagnetic phase, various nonmagnetic ground states are found. If the ferromagnetic coupling between apical spins and the main chain is strong, this model is approximated by a spin-1 bilinear-biquadratic chain and the spin quadrupolar phase with spin-2 gapless excitation is realized in addition to the Haldane and ferromagnetic phases. In the regime where the coupling between the apical spins and the main chain is weak, the numerical results which suggest the possibility of a series of phase transitions among different nonmagnetic phases are obtained. Physical pictures of these phases are discussed based on the numerical results.
This work is devoted to the study of spin S = 1 systems, and more precisely to the emergence of exotic quantum phases in such systems, and to the establishment of tools to observe such phases. It is split in four main chapters. In the first chapter, we show how spin S = 1 systems can emerge from microscopic models, and which kinds of interaction might appear in the effective spin model. We start from a two-orbital Hubbard model, and by a strong coupling development to fourth order, we derive an effective model. We will see that three types of interaction appear beyond the Heisenberg interaction : a plaquette interaction, a biquadratic interaction and a three-spin interaction. In the second chapter, we study Raman scattering on systems with quadrupolar order to show that it can be used to probe such order. We first start by deriving an effective light scattering operator following Shastry and Shraiman calculation on spin S = 1/2 systems. Using this effective operator, we compute the Raman spectra with exact diagonalization and linear flavor-wave theory. We show that two different regimes appear depending on the incoming photon energy, and that combining this to different polarizations accessible with Raman scattering, the presence of quadrupolar order can be established with this probe. The third chapter is devoted to the study of the three-spin interaction that appeared in the first chapter on a chain. We start by establishing the classical and the mean field phase diagram of this system. We then turn to the quantum case. We show that, whatever the value of the spin is, the ground state is perfectly dimerized for a particular value of the three-spin interaction. The presence of such a point in the phase diagram implies the existence of a quantum phase transition when increasing the three-spin interaction. By an intensive numerical study, we show that this transition is continuous, and that its critical behavior is the one of a SU(2)k=2S Wess-Zumino-Witten model, at least for spins S = 1/2,1,3/2,2. In the last section of this chapter, we study the phase diagram of the chain for spin S = 1 under a magnetic field. We conclude this work with a study of the three-spin interaction on a square lattice. The classical and mean field phase diagram are established. It is shown that for a large three-spin interaction, the classical ground state is highly degenerate. This degeneracy is lifted in the quantum case by a process of order by disorder. We compute the quantum fluctuations with linear spin-wave theory, and show that some phases are selected over others. We confirm these results by an exact diagonalization study of the system.
Building on the generalization of the exactly dimerized Majumdar-Ghosh ground state to arbitrary spin SSS for the Heisenberg chain with a three-site term $({\mathbf{S}}_{i\ensuremath{-}1}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i})({\mathbf{S}}_{i}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{S}}_{i+1})+\text{H.c.}$, we use density-matrix renormalization group simulations and exact diagonalizations to determine the nature of the dimerization transition for S=1S=1S=1, 3/23/23/2, and 2. The resulting central charge and critical exponent are in good agreement with the SU(2)k=2S\text{SU}{(2)}_{k=2S}SU(2)k=2S​ Wess-Zumino-Witten values c=3k/(2+k)c=3k/(2+k)c=3k/(2+k) and $\ensuremath{\eta}=3/(2+k)$. Since the three-site term that induces dimerization appears naturally if exchange interactions are calculated beyond second order, these results suggest that SU(2)k>1\text{SU}{(2)}_{k>1}SU(2)k>1​ Wess-Zumino-Witten models might finally be realized in actual spin chains.
The quasi-one-dimensional S=1 Heisenberg antiferromagnet with a biquadratic term is investigated at zero temperature by quantum Monte Carlo simulation. As the magnitude of the inter-chain coupling is increased, the system undergoes a phase transition from a spontaneously dimerized phase to a Néel ordered or spin nematic phase. The numerical results suggest the possibility of an unconventional second-order transition in which the symmetry group characterizing one phase is not a subgroup of the other.