The key to unraveling intriguing phenomena observed in various Kitaev materials lies in understanding the interplay of Kitaev ($K$) interaction and a symmetric off-diagonal $Γ$ interaction. To provide insight into the challenging problems, we study the quantum phase diagram of a bond-alternating spin-$1/2$ $g_x$-$g_y$ $K$-$Γ$ chain by density-matrix renormalization group method where $g_x$ and $g_y$ are the bond strengths of the odd and even bonds, respectively. The phase diagram is dominated by even-Haldane ($g_x > g_y$) and odd-Haldane ($g_x < g_y$) phases where the former is topologically trivial while the latter is a symmetry-protected topological phase. Near the antiferromagnetic Kitaev limit, there are two gapped $A_x$ and $A_y$ phases characterized by distinct nonlocal string correlators. In contrast, the isotropic ferromagnetic (FM) Kitaev point serves as a multicritical point where two topological phase transitions meet. The remaining part of the phase diagram contains three symmetry-breaking magnetic phases. One is a six-fold degenerate FM$_{U_6}$ phase where all the spins are parallel to one of the $\pm \hat{x}$, $\pm \hat{y}$, and $\pm \hat{z}$ axes in a six-site spin rotated basis, while the other two have more complex spin structures with all the three spin components being finite. Existence of a rank-2 spin-nematic ordering in the latter is also discussed.
Ground state properties, dispersion relations and scaling behaviour of spin gap of a bond alternating spin-$\frac{1}{2}$ anisotropic Heisenberg chain have been studied where the exchange interactions on alternate bonds are ferromagnetic (FM) and antiferromagnetic (AFM) in two separate cases. The resulting models separately represent nearest neighbour (NN) AFM-AFM and AFM-FM bond alternating chains. Ground state energy has been estimated analytically by using both bond operator and Jordan-Wigner representations and numerically by using exact diagonalization. Dispersion relations, spin gap and s…
In this work, we analyze the nonsymmorphic symmetry group structures for a variety of generalized Kitaev spin chains and ladders with bond alternations, including Kitaev-Gamma chain, Kitaev-Heisenberg-Gamma chain, beyond nearest neighbor interactions, and two-leg spin ladders. The symmetry analysis is applied to determine the symmetry breaking patterns of several magnetically ordered phases in the bond-alternating Kitaev-Gamma spin chains, as well as the dimerization order parameters for spontaneous dimerizations. Our work is useful in understanding the magnetic phases in related models and ma…
We study different phases of the one-dimensional bond-alternating spin-$1/2$ Heisenberg model by using the symmetry fractionalization mechanism. We employ the infinite matrix-product state representation of the ground state (through the infinite-size density matrix renormalization group algorithm) to obtain inequivalent projective representations of the (unbroken) symmetry groups of the model, which are used to identify the different phases. We find that the model exhibits trivial as well as symmetry-protected topological phases. The symmetry-protected topological phases are Haldane phases on …
We present the zero temperature phase diagram of the bond alternating Ising chain in the presence of Dzyaloshinskii-Moriya interaction. An abrupt change in ground state fidelity is a signature of quantum phase transition. We obtain the renormalization of fidelity in terms of quantum renormalization group without the need to know the ground state. We calculate the fidelity susceptibility and its scaling behavior close to quantum critical point (QCP) to find the critical exponent which governs the divergence of correlation length. The model consists of a long range antiferromagnetic order with n…
A recent density functional theory (DFT) based analysis, complemented with Quantum Monte Carlo calculations revealed a highly spin-frustrating nature of the one-dimensional spin-$\frac{1}{2}$ compound $Cs_2CuAl_4O_8$ that comprises of unique bond alternations and relatively strong next nearest neighbor interactions. This article gives a brief account on possible magnon excitations that can appear in the ground state of such systems. We find that the spin waves obtained on top of coplanar helical reference states show multiple magnon modes (both acoustic and optical). However, those magnon mode…
The ground state phase diagrams and thermodynamic properties of a spin-1 bond-alternating Heisenberg antiferromagnetic chain with a single-ion anisotropy in longitudinal and transverse magnetic fields are investigated jointly by means of the infinite time evolving block decimation, the linearized tensor renormalization group and the density matrix renormalization group methods. It is found that in the magnetic field-bond alternating ratio plane six phases such as singlet dimer, Haldane, two Tomonaga-Luttinger liquid, 1/2 magnetization plateau and spin polarized phases are identified in a longi…
We report on the magnetic structures of Tb3RuO7 and Nd3RuO7 determined from powder neutron-diffraction experiments. In Tb3RuO7, alternating-bond spin-3/2 Ru1-Ru2 chains are formed. The Ru1 and Ru2 moments are ordered and disordered (paramagnetic), respectively, below 15 K. This result indicates the appearance of a partially disordered (PD) state, although the two Ru sites are very similar to each other. In Nd3RuO7, the Ru1 and Ru2 ions form independent uniform chains. Both the Ru1 and Ru2 moments are ordered below 17.5 K. Probably, the main source of the PD state in Tb3RuO7 is the magnetic fru…
The ground-state phases of alternating-bond spin-1 diamond chains are investigated. Each ground state consists of an array of spin clusters separated by singlet dimers owing to an infinite number of local conservation laws. If no singlet dimers are present, the ground state is equivalent to that of a spin chain with infinite length.For strong frustration, we find a series of quantum phase transitions as in the case of alternating-bond mixed diamond chains with spins 1 and 1/2. For intermediate frustration, we find the nonmagnetic Haldane or dimer phases according to whether the bond alternatio…
By the analytical coupled cluster method (CCM), we study both the ground state and lowest-lying excited-state properties of the alternating bond diamond chain. The numerical exact diagonalization (ED) method is also applied to the chain to verify the accuracy of CCM results. The ED results show that the ground-state phase diagram contains two exact spin cluster solid ground states, namely, the tetramer-dimer (TD) state and dimer state, and the ferrimagnetic long-range-ordered state. We prove that the two exact spin cluster solid ground states can both be formed by CCM. Moreover, the exact spin…
We investigate the ground state properties of the Kagome lattice $t-J$ model at low doping. We propose a new state of matter. Our results suggest an interesting phase with a balance of spin-exchange and kinetic exchange through the building blocks of stars and their internal hexagons, being linked by triangles. The particles favor to hop in the hexagons, while the spin-exchange is taking place mainly on the stars. The combined effect leads to the formation of the "Star of David" valence bond crystal. We discuss our result in connection with static impurities, and show the likely relevance to t…
In order to clarify the origin of the enhancement of the thermal conductivity in the Bose-Einstein Condensed (BEC) state of field-induced triplons, we have measured the thermal conductivity along the [101] direction parallel to spin-chains, $kappa_{\|[101]}$, and perpendicular to spin-chains, $kappa_{\perp[101]}$, of the S=1/2 bond-alternating spin-chain system Pb2V3O9 in magnetic fields up to 14 T. With increasing field at 3 K, it has been found that both $kappa_{\|[101]}$ and $kappa_{\perp[101]}$ are suppressed in the gapped normal state in low fields. In the BEC state of field-induced tripl…
By using mainly numerical methods, we investigate the ground-state phase diagram (GSPD) of an $S=1$ ferromagnetic-antiferromagnetic bond-alternating chain with the $XXZ$ and the on-site anisotropies. This system can be mapped onto an anisotropic spin-2 chain when the ferromagnetic interaction is much stronger than the antiferromagnetic interaction. Since there are many quantum parameters in this system, we numerically obtained the GSPD on the plane of the magnitude of the antiferromagnetic coupling versus its $XXZ$ anisotropy, by use of the exact diagonalization, the level spectroscopy as well…
We investigate string correlations in an infinite-size spin-1/2 bond-alternating Heisenberg chain. By employing the infinite matrix product state representation with the infinite time evolving block decimation method, a finite string correlation for extremely large lattice distances is directly observed, contrast to an extrapolated extreme value for finite size chains. We find that a topological quantum phase transition occurs between two different phases separated and characterized by two different long-range string orders in the space of bond-alternating interactions. Also, the critical expo…
The quantum renormalization group method is applied to study the quantum criticality and entanglement entropy of the ground state of the Ising chain in the presence of antisymmetric anisotropic couplings and alternating exchange interactions. The quantum phase transitions can be characterized by the discontinuity in the second derivative of the energy of renormalized ground state. The phase diagram is obtained by the critical boundary line. The first derivative of entanglement entropy also diverges at the same critical points after enough iterations of the renormalization of coupling constants…
The Haldane phase represents one of the most important symmetry protected states in modern physics. This state can be realized using spin-1 and spin-${1\over 2}$ Heisenberg models and bosonic particles. Here we explore the emergent Haldane phase in an alternating bond $\mathbb{Z}_3$ parafermion chain, which is different from the previous proposals from fundamental statistics and symmetries. We show that this emergent phase can also be characterized by a modified long-range string order, as well as four-fold degeneracy in the ground state energies and entanglement spectra. This phase is protect…
We investigate the ground-state phase diagram of the bond-alternating $S=2$ quantum spin chain with the $XXZ$ and on-site anisotropies. For the on-site anisotropies, in addition to the popular $D_2 \sum_j (S_j^z)^2$ term, we consider the $D_4 \sum_j (S_j^z)^4$ term. Mainly we use the exact diagonalization and the level spectroscopy analysis. We show that the Haldane state, large-$D$ state and the Dimer2 state belong to the same trivial phase, by finding the existence of adiabatic paths directly connecting these states without the quantum phase transition. Similarly, we show that the intermedia…
Coupled dimerized alternating-bond quantum spin chains in the distorted honeycomb-lattice magnet Cu$_5$SbO$_6$
Mahidol University（马希隆大学）；Thailand Center of Excellence in Physics, Commission of Higher Education（泰国物理卓越中心，高等教育委员会）；Tohoku University（东北大学）；Tokyo University of Science（东京科学大学）；National Taiwan University（台湾大学）；Taiwan Consortium of Emergent Crystalline Materials, National Science and Technology Council（台湾新兴晶体材料联盟，国家科学技术委员会）；Center of Atomic Initiative for New Materials, National Taiwan University（台湾大学新物质原子倡议中心）；J-PARC Center（J-PARC中心）；University of Maryland（马里兰大学）；National Institute of Standards and Technology（美国国家标准与技术研究院）
We investigate the mixed diamond chain composed of spins 1 and 1/2 when the exchange interaction is alternatingly distorted. Depending on the strengths of frustration and distortion, this system has various ground states. Each ground state consists of an array of spin clusters separated by singlet dimers by virtue of an infinite number of local conservation laws. We determine the ground state phase diagram by numerically analyzing each spin cluster. In particular for strong distortion, we find an infinite series of quantum phase transitions by the cluster expansion method and conformal field t…
One-dimensional gapped phases that avoid any symmetry breaking have drawn enduring attention. In this paper, we study such phases in a bond-alternating spin-1 $K$-$Γ$ chain built of a Kitaev ($K$) interaction and an off-diagonal $Γ$ term. In the case of isotropic bond strength, a Haldane phase, which resembles the ground state of a spin-$1$ Heisenberg chain, is identified in a wide region. A gapped Kitaev phase situated at dominant ferromagnetic and antiferromagnetic Kitaev limits is also found. The Kitaev phase has extremely short-range spin correlations and is characterized by finite $\mathb…
Dynamics of S=1 antiferromagnetic bond-alternating chains in the dimer phase, in the vicinity of the critical point with the Haldane phase, is studied by a field theoretical method. This model is considered to represent the compound Ni(C$_9$H$_{24}$N$_4$)(NO$_2$)ClO$_4$ (abbreviated as NTENP). We construct the sine-Gordon (SG) field theory as a low-energy effective model of this system, starting from a Tomonaga-Luttinger liquid at the critical point. Using the exact solution of the SG theory, we give a field theoretical picture of the low-energy excitation spectrum of NTENP. Results derived fr…
Quantum phase transitions (QPTs) and the ground-state phase diagram of the spin-1/2 Heisenberg-Ising alternating chain (HIAC) with uniform Dzyaloshinskii-Moriya (DM) interaction are investigated by a matrix-product-state (MPS) method. By calculating the odd- and even-string order parameters, we recognize two kinds of Haldane phases, i.e., the odd- and even-Haldane phases. Furthermore, doubly degenerate entanglement spectra on odd and even bonds are observed in odd- and even-Haldane phases, respectively. A rich phase diagram including four different phases, i.e., an antiferromagnetic (AF), AF s…
The majority of recent works devoted to spin nematic phases deal with either frustrated magnets or with those described by Hamiltonians with large non-Heisenberg terms. We show in the present study that nonfrustrated antiferromagnets (AFs) containing ferromagnetic (FM) bonds can show nematic phases in a strong magnetic field. Among the particular spin systems discussed are a ladder with FM rungs, two AF layers coupled ferromagnetically, a chain containing alternating AF and FM bonds, and an AF anisotropic spin-1 chain.
Unconventional phases often occur where two competing mechanisms compensate. An excellent example is the ionic Hubbard model where the alternating local potential $δ$, favoring a band insulator (BI), competes with the local repulsion $U$, favoring a Mott insulator (MI). By continuous unitary transformations we derive effective models in which we study the softening of various excitons. The softening signals the instability towards new phases that we describe on the mean-field level. On increasing $U$ from the BI in two dimensions, we find a bond-ordered phase breaking orientational symmetry du…
A systematic analysis is performed for quantum phase transitions in a bond-alternative one-dimensional Ising model with a Dzyaloshinskii-Moriya (DM) interaction by using the fidelity of ground state wave functions based on the infinite matrix product states algorithm. For an antiferromagnetic phase, the fidelity per lattice site exhibits a bifurcation, which shows spontaneous symmetry breaking in the system. A critical DM interaction is inversely proportional to an alternating exchange coupling strength for a quantum phase transition. Further, a finite-entanglement scaling of von Neumann entro…
We study the entanglement structure and the topological edge states of the ground state of the spin-1/2 XXZ model with bond alternation. We employ parity-density matrix renormalization group with periodic boundary conditions. The finite-size scaling of Rényi entropies $S_2$ and $S_\infty$ are used to construct the phase diagram of the system. The phase diagram displays three possible phases: Haldane type (an example of symmetry protected topological ordered phases), Classical Dimer and Néel phases, the latter bounded by two continuous quantum phase transitions. The entanglement and non-localit…
Numerical evidences of spin-1/2 chain approaching spin-1 chain
本文研究了最近邻交换耦合为铁磁耦合和反铁磁耦合的一维海森堡自旋为1/2的交替键链。利用精确对角化和密度矩阵重整化群（DMRG）方法，讨论了系统在一定条件下如何逼近AF均匀自旋1链。当AF与FM耦合强度之比} $α$ $(α=J_{AF}/J_{F})$ \textit{is very small, the physical quantities of the alternating bond chain such as the spin-spin correlation, the string correlation function and the spin density coincide with that of the AF uniform spin-1 chain. The edge state problem is discussed in the present model with small} $α$ \textit {limit.此外，AF均匀自旋-1链的Halfenge能隙是所考虑系统的能隙的4倍。
The topological classification of a series of frustration-induced spin-gap phases in the spin-1/2 ferromagnetic--antiferromagnetic alternating Heisenberg chain with next-nearest-neighbour interaction reported in J. Phys. Soc. Jpn. 82, 064703 (2013) is confirmed using two kinds of entanglement spectra defined by different divisions of the whole chain. For the numerical calculation, the iDMRG method is used. The results are consistent with the valence bond solid picture proposed in the previous paper.
The ability to accurately predict the finite temperature properties of realistic quantum solids is central to uncovering new phases and engineering materials with novel properties. Nonetheless, there remain comparatively few many-body techniques capable of elucidating the finite temperature physics of solids from first principles. In this work, we take a significant step towards developing such a technique by generalizing our previous, fully ab initio finite temperature Auxiliary Field Quantum Monte Carlo (FT-AFQMC) method to model periodic solids and employing it to uncover the finite tempera…
The $S=1/2$ square-lattice $J$-$Q$ model hosts a deconfined quantum phase transition between antiferromagnetic and dimerized (valence-bond solid) ground states. We here study two deformations of this model -- a term projecting staggered singlets as well as a modulation of the $J$ terms forming alternating "staircases" of strong and weak couplings. The first deformation preserves all lattice symmetries. Using quantum Monte Carlo simulations, we show that it nevertheless introduces a second relevant field, likely by producing topological defects. The second deformation induces helical valence-bo…
