非均匀四极态的产生对于理解多个研究领域（例如多铁性化合物、非磁性超导体等）发展中观察到的各种迷人现象起着至关重要的作用。在本工作中，我们在多极算符表示下研究了一个广义自旋-3/2 双线性-双二次-双三次海森堡链的基态相图。通过大规模密度矩阵重正化群（DMRG）方法的数值模拟，我们成功地识别出一个四聚化相和一个条纹-Q 相。这些相的特征在于平移对称性自发破缺导致的非均匀四极序的出现。特别地，四聚化相指的是四极算符呈现四周期循环，而条纹-Q 相则代表四极算符中的条纹图案。此外，基于强有力的数值结果，我们证明了在二聚化（DM）相和卢廷格液体（LL）相之间的转变点上存在一个级别 k = 1 的 Wess-Zumino-Witten（WZW）模型。
英文摘要：
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.
Using mean-field theory, exact diagonalizations and SU(3) flavour theory, we have precisely mapped out the phase diagram of the S=1 bilinear-biquadratic Heisenberg model on the triangular lattice in a magnetic field, with emphasis on the quadrupolar phases and their excitations. In particular, we show that ferroquadrupolar order can coexist with short-range helical magnetic order, and that the antiferroquadrupolar phase is characterized by a remarkable 2/3 magnetization plateau, in which one site per triangle retains quadrupolar order while the other two are polarized along the field. Implicat…
We explore several classes of quadrupolar ordering in a system of antiferromagnetically coupled quantum spin-1 dimers, which are stacked in the triangular lattice geometry forming a bilayer. Low-energy properties of this model is described by an $\mathcal{S}=1$ hard-core bosonic degrees of freedom defined on each dimer-bond, where the singlet and triplet states of the dimerized spins are interpreted as the vacuum and the occupancy of boson, respectively. The number of bosons per dimer and the magnetic and density fluctuations of bosons are controlled by the inter-dimer Heisenberg interactions.…
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.
Motivated by recent experimental and theoretical progresses of the magnetic properties of iron-based superconductors, we provide a comprehensive analysis of the spin-1 bilinear-biquadratic (BBQ) model on the square lattice. Using variational approach in the mean-field level, we identify the existence of various magnetic phases, including conventional spin dipolar orderings (ferro- or antiferromagnet), novel quadrupolar (spin nematic) orderings and mixed dipolar-quadrupolar orderings. In contrast to the usual Heisenberg model, the elementary excitations of the spin-1 BBQ model are described by …
Motivated by the complex behavior of the frustrated magnet $β$-TeVO$_4$, we study an anisotropic Heisenberg model for coupled spin-$1/2$ zigzag chains. Using cluster mean field approach to capture quantum correlations we find, upon reducing temperature in the absence of applied field, (i) a partially ordered state, (ii) a collinear antiferromagnetic phase, and (iii) an elliptical spiral state characterized by finite vector chirality. For finite fields, we find metamagnetic response close to saturation magnetization. We show via explicit calculations that the quadrupolar order parameter is fini…
We study thermodynamic properties as well as the dynamical spin and quadrupolar structure factors of the O(3)-symmetric spin-1 Heisenberg model with bilinear-biquadratic exchange interactions on the triangular lattice. Based on a sign-problem-free quantum Monte Carlo approach, we access both the ferromagnetic and the ferroquadrupolar ordered, spin nematic phase as well as the SU(3)-symmetric point which separates these phases. Signatures of Goldstone soft-modes in the dynamical spin and the quadrupolar structure factors are identified, and the properties of the low-energy excitations are compa…
We analyze theoretically the novel pathway of ultrafast spin dynamics for ferromagnets with high enough single-ion anisotropy (non-Heisenberg ferromagnets). This longitudinal spin dynamics includes the coupled oscillations of the modulus of the magnetization together with the quadrupolar spin variables, which are expressed through quantum expectation values of operators bilinear on the spin components. Even for a simple single-element ferromagnet, such a dynamics can lead to an inertial magnetization reversal under the action of an ultrashort laser pulse.
In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d$^1$ $J_{eff}=\frac{3}{2}$ spin-orbit coupled double perovskite $\rm Ba_2NaOsO_6$ using first principles approaches. By combining non-collinear magnetic calculations with multipolar pseudospin Hamiltonian analysis and many-body techniques we elucidate the origin of the observed quadrupolar canted antifferomagnetic. We show that the non-collinear magnetic order originates from Jahn-Teller distortions due to the cooperation of Heisenberg exchange, quadr…
We illustrate how the tensorial kernel support vector machine (TK-SVM) can probe the hidden multipolar orders and emergent local constraint in the classical kagome Heisenberg antiferromagnet. We show that TK-SVM learns the finite-temperature phase diagram in an unsupervised way. Moreover, in virtue of its strong interpretability, it identifies the tensorial quadrupolar and octupolar orders, which define a biaxial $D_{3h}$ spin nematic, and the local constraint that underlies the selection of coplanar states. We then discuss the disorder hierarchy of the phases, which can be inferred from both …
We study the spin S=1 antiferromagnetic Heisenberg model on the square lattice with, in addition to the nearest-neighbor interaction, a three-site interaction of the form (S_i S_j)*(S_j S_k) + h.c.. This interaction appears naturally in a strong coupling exansion of the two-orbital, half-filled Hubbard model. For spin 1/2, this model reduces to a Heisenberg model with bilinear interactions up to third neighbors, with a second-neighbor interaction twice as large the third-neighbor one, a very frustrated model with an infinite family of helical classical ground states in a large parameter range.…
We theoretically investigate magnetic properties in the low-temperature phase with the formation of eight-site clusters, octamers, in the spinel compound CuIr$_2$S$_4$. The octamer state was considered to be a spin-singlet state induced by a Peieirls instability through the strong anisotropy of $d$ orbitals, the so-called orbital Peierls state. We reexamine this picture by taking into account the spin-orbit coupling which was ignored in the previous study. We derive a low-energy effective model between $j_{\rm eff}=1/2$ quasispins on Ir$^{4+}$ cations in an octamer from the multiorbital Hubbar…
We present the phase diagram of the frustrated ferromagnetic S=1/2 Heisenberg J_1-J_2 chain in a magnetic field, obtained by large scale exact diagonalizations and density matrix renormalization group simulations. A vector chirally ordered state, metamagnetic behavior and a sequence of spin-multipolar Luttinger liquid phases up to hexadecupolar kind are found. We provide numerical evidence for a locking mechanism, which can drive spiral states towards spin-multipolar phases, such as quadrupolar or octupolar phases. Our results also shed light on previously discovered spin-multipolar phases in …
For the time being isotropic three-body exchange interactions are scarcely explored and mostly used as a tool for constructing various exactly solvable one-dimensional models, although, generally speaking, such competing terms in generic Heisenberg spin systems can be expected to support specific quantum effects and phases. The Heisenberg chain constructed from alternating S=1 and sigma=1/2 site spins defines a realistic prototype model admitting extra three-body exchange terms. Based on numerical density-matrix renormalization group (DMRG) and exact diagonalization (ED) calculations, we demon…
It is generally difficult to experimentally distinguish magnetic multipolar orders in spin systems. Recently, it was proposed that the temperature dependence of the nuclear magnetic resonance relaxation rate 1/T_1 can involve an indirect, but clear signature of the field-induced spin nematic or multipolar Tomonaga-Luttinger (TL) liquid phase [Phys. Rev. B79, 060406(R) (2009)]. In this paper, we evaluate accurately the field and temperature dependence of 1/T_1 in spin-1/2 frustrated J1-J2 chains combining field-theoretical techniques with numerical data. Our results demonstrate that isotherms o…
Making use of infinite projected entangled pair states, we investigate the ground state phase diagram of the nearest-neighbor spin-1 bilinear-biquadratic Heisenberg model on the triangular lattice. In agreement with previous studies, we find the ferromagnetic, 120 degree magnetically ordered, ferroquadrupolar and antiferroquadrupolar phases, and confirm that all corresponding phase transitions are first order. Moreover, we provide an accurate estimate of the location of the ferroquadrupolar to 120 degree magnetically ordered phase transition, thereby fully establishing the phase diagram. Also,…
The ground state phase diagram of the spin-1/2 Heisenberg frustrated $Δ$-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…
In this work, we study a biquadratic Heisenberg model with coupled orbital degree of freedom using Monte Carlo simulation in order to investigate the phase transitions in iron-based superconductors. The antiferro-quadrupolar state, which may be related to the magnetism of FeSe [Phys. Rev. Lett. 115, 116401 (2015)], is stabilized by the anisotropic biquadratic interaction induced by a ferro-orbital-ordered state. It is revealed that the orbital and nematic transitions occur at the same temperature for all the cases, supporting the mechanism of the orbital-driven nematicity as revealed in most r…
We study the quantum and thermal phase transition phenomena of the SU(3) Heisenberg model on triangular lattice in the presence of magnetic fields. Performing a scaling analysis on large-size cluster mean-field calculations endowed with a density-matrix-renormalization-group solver, we reveal the quantum phases selected by quantum fluctuations from the massively degenerate classical ground-state manifold. The magnetization process up to saturation reflects three different magnetic phases. The low- and high-field phases have strong nematic nature, and especially the latter is found only via a n…
Nematic order is an exotic property observed in several strongly correlated systems, such as the 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 symm…
We present an extensive numerical study of spin quadrupolar correlations in single and coupled bilinear-biquadratic spin one chains, using several methods such as Exact Diagonalization, Density Matrix Renormalization Group and strong coupling series expansions. For the single chain we clarify the dominant correlation function in the enigmatic gapless period-three phase for theta in (pi/4,pi/2), which is of spin quadrupolar nature with a period three spatial structure. Then we revisit the open problem of the possible existence of a ferroquadrupolar phase between the dimerized and the ferromagne…
Dipolar and quadrupolar spin supersolid states in a spin-1 triangular antiferromagnet
RIKEN Center for Emergent Matter Science (CEMS)（理化学研究所物质结构研究センター）；Institute of Theoretical Physics, Chinese Academy of Sciences（中国科学院理论物理研究所）；RIKEN Center for Computational Science (R-CCS)（理化学研究所计算科学研究中心）；RIKEN Center for Quantum Computing (RQC)（理化学研究所量子计算研究中心）；RIKEN Pioneering Research Institute (PRI)（理化学研究所开创性研究所）；Advanced Science Research Center, Japan Atomic Energy Agency（日本原子力机构先进科学研究中心）
We provide strong evidence that the S=1 bilinear-biquadratic Heisenberg model with nearest-neighbor interactions on the square lattice possesses an extended three-sublattice phase induced by quantum fluctuations for sufficiently large biquadratic interactions, in spite of the bipartite nature of the lattice. The argumentation relies on exact diagonalizations of finite clusters and on a semiclassical treatment of quantum fluctuations within linear flavor-wave theory. In zero field, this three-sublattice phase is purely quadrupolar, and upon increasing the field it replaces most of the plateau a…
Using an adaptation of Schwinger boson mean field theory (SBMFT) for nonuniform systems, we study the nature of low-energy spin excitations on the square and Bethe lattice at their percolation threshold. The optimal SBMFT parameters are interpreted as on-site potentials and pairing amplitudes, which enables an explanation of why emergent local moments develop in this system on dilution [L. Wang and A. W. Sandvik, Phys. Rev. Lett. 97, 117204 (2006); H.J. Changlani et al., ibid 111, 157201 (2013)] and why the corresponding single particle frequencies are driven to anomalously low values. We disc…
Motivated by experimental and theoretical interest in realizing multipolar orders in $d$-orbital materials, we discuss the quantum magnetism of $J\!=\!2$ ions which can be realized in spin-orbit coupled oxides with $5d^2$ transition metal ions. Based on the crystal field environment, we argue for a splitting of the $J\!=\!2$ multiplet, leading to a low lying non-Kramers doublet which hosts quadrupolar and octupolar moments. We discuss a microscopic mechanism whereby the combined perturbative effects of orbital repulsion and antiferromagnetic Heisenberg spin interactions leads to ferro-octupola…
We have studied the Heisenberg antiferromagnets characterized by the magnetic structures with the periods being two times larger than the lattice period. We have considered all the types of the Bravais lattices (simple cubic, bcc and fcc) and divided all these antiferromagnets into 7 classes i.e. 3 plus 4 classes denoted with symbols A and B correspondingly. The order parameter characterizing the degeneracies of the magnetic structures is an ordinary Neel vector for A classes and so-called 4-complex for B classes. We have taken into account the fluctuation corrections for these states within t…
A mixed Heisenberg spin chain with frustrated side chains is investigated by numerical and perturbational calculations. A frustration-induced quantum partially polarized ferrimagnetic phase and a nonmagnetic spin quadrupolar phase are found adjacent to the conventional Lieb-Mattis type ferrimagnetic phase or the nonmagnetic singlet cluster solid phases. The partially polarized ferrimagnetic phase has an incommensurate spin structure. Similar structures are commonly found in other frustration-induced partially polarized ferrimagnetic phases. Numerical results also suggest a series of almost cri…
Quantum quenches in a spin-1 chain with tunable symmetry
Instituto de Física, Universidad Nacional Autónoma de México（墨西哥国立自治大学物理研究所）；Harish-Chandra Research Institute（哈里什-昌德拉研究所）；Homi Bhabha National Institute（霍米·巴巴国立研究所）；Department of Physics, Harvey Mudd College（哈维穆德学院物理系）
Recently, it has been shown that spin nematic (quadrupolar) or higher multipolar correlation functions exhibit a quasi long-range order in the wide region of the field-induced Tomonaga-Luttinger-liquid (TLL) phase in spin-1/2 zigzag chains. In this paper, we point out that the temperature dependence of the NMR relaxation rate 1/T_1 in these multipolar TLLs is qualitatively different from that in more conventional TLLs of one-dimensional quantum magnets (e.g., the spin-1/2 Heisenberg chain); 1/T_1 decreases with lowering temperature in multipolar TLL. We also discuss low-energy features in spin…
States of matter that break time-reversal symmetry are invariably associated with magnetism or circulating currents. Recently, one of us proposed a phase, the directional scalar spin chiral order (DSSCO), as an exception: it breaks time-reversal symmetry via chiral ordering of spins along a particular direction, but is spin-rotation symmetric. In this work, we prove the existence of this state via state-of-the-art density matrix renormalization group (DMRG) analysis on a spin-1 chain with nearest-neighbor bilinear-biquadratic interactions and additional third-neighbor ferromagnetic Heisenberg …
Spin-1 antiferromagnets are abundant in nature, but few theories or results exist to understand their general properties and behavior, particularly in situations when geometric frustration is present. Here we study the $S=1$ Kagome compound Na$_2$Ti$_3$Cl$_8$ using a combination of Density Functional Theory, Exact Diagonalization, and Density Matrix Renormalization Group methods to achieve a first principles supported explanation of exotic magnetic phases in this compound. We find that the effective magnetic Hamiltonian includes essential non-Heisenberg terms that do not stem from spin-orbit c…
Using a matrix product state algorithm with infinite boundary conditions, we compute high-resolution dynamic spin and quadrupolar structure factors in the thermodynamic limit to explore the low-energy excitations of isotropic bilinear-biquadratic spin-1 chains. Haldane mapped the spin-1 Heisenberg antiferromagnet to a continuum field theory, the non-linear sigma model (NL$σ$M). We find that the NL$σ$M fails to capture the influence of the biquadratic term and provides only an unsatisfactory description of the Haldane phase physics. But several features in the Haldane phase can be explained by …
Tensor network study of the spin-1/2 square-lattice $J_1$-$J_2$-$J_3$ model: incommensurate spiral order, mixed valence-bond solids, and multicritical points
