We present a microscopic model of the spin-gap quantum magnet (CuCl)LaNb2O7 that was previously suggested as a realization of the spin-1/2 frustrated square lattice. Taking advantage of the precise atomic positions from recent crystal structure refinement, we evaluate individual exchange integrals and construct a minimum model that naturally explains all the available experimental data. Surprisingly, the deviation from tetragonal symmetry leads to the formation of spin dimers between fourth neighbors due to a Cu-Cl-Cl-Cu pathway with a leading antiferromagnetic exchange J4 ~ 25 K. The total interdimer exchange amounts to 12 - 15 K. Our model is in agreement with inelastic neutron scattering results and is further confirmed by quantum Monte-Carlo simulations of the magnetic susceptibility and the high-field magnetization. Our results establish (CuCl)LaNb2O7 as a non-frustrated system of coupled spin dimers with predominant antiferromagnetic interactions and provide a general perspective for related materials with unusual low-temperature magnetic properties.
We report a detailed examination the magnetic structure of anhydrous cupric chloride CuCl2 carried out by powder neutron diffraction, magnetic susceptibility and specific heat measurements on polycrystalline and single crystal samples as well as an evaluation of the spin exchange interactions by first principles density functional theory (DFT) calculations. Anhydrous CuCl2 shows one dimensional antiferromagnetic behavior and long range antiferromagnetic ordering below a Neel temperature of 23.9 K. Neutron powder and single crystal diffraction reveal that, below 23.9K, CuCl2 undergoes a phase t…
We investigate the electronic structure of Cs$_2$CuCl$_4$, a material discussed in the framework of a frustrated quantum antiferromagnet, by means of resonant inelastic x-ray scattering (RIXS) and Density Functional Theory (DFT). From the non-dispersive highly localized dd excitations, we resolve the crystal field splitting of the Cu$^{2+}$ ions in a strongly distorted tetrahedral coordination. This allows us to model the RIXS spectrum within the Crystal Field Theory (CFT), assign the dd orbital excitations and retrieve experimentally the values of the crystal field splitting parameters D$_q$,…
We present a computational study of the layered copper oxychloride [CuCl]LaNb(2)O(7) that has been recently proposed as a spin-1/2 frustrated square lattice compound. Our results evidence an orbitally degenerate ground state for the reported tetragonal crystal structure and reveal a Jahn-Teller-type structural distortion. This distortion heavily changes the local environment of copper -- CuO(2)Cl(2) plaquettes are formed instead of CuO(2)Cl(4) octahedra -- and restores the single-orbital scenario typical for copper oxides and oxyhalides. The calculated distortion is consistent with the availab…
We investigate the electronic and magnetic properties of the frustrated triangular-lattice antiferromagnets Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$ in the framework of density functional theory. Analysis of the exchange couplings J and J' using the available X-ray structural data corroborates the values obtained from experimental results for Cs$_2$CuBr$_4$ but not for Cs$_2$CuCl$_4$. In order to understand this discrepancy, we perform a detailed study of the effect of structural optimization on the exchange couplings of Cs$_2$CuCl$_4$ employing different exchange-correlation functionals. We find tha…
The objective of the present work was to analyze the possibility of realization of quantum spin liquid in three volcanic minerals - averievite (Cu5O2(VO4)2(CuCl)), ilinskite (NaCu5O2(SeO3)2Cl3), and avdononite (K2Cu5Cl8(OH)4 2H2O - from the crystal chemistry point of view. Based on the structural data, the sign and strength of magnetic interactions have been calculated and the geometric frustrations serving as the main reason of the existence of spin liquids have been investigated. According to our calculations, the magnetic structures of averievite and ilinskite are composed of antiferromagne…
A recent study [Tassel {\it et al.}, Phys. Rev. Lett. {\bf 105}, 167205 (2010)] has proposed a remarkable spin model for (CuCl)LaNb2O7, in which dimers are ferromagnetically coupled to each other on the distorted Shastry-Sutherland lattice. In this model, the intra-dimer exchange coupling J>0 is antiferromagnetic, while the inter-dimer exchange couplings are ferromagnetic and take different values, J_x,J_y<0, in the two bond directions. Anticipating that the highly frustrated character of this model may lead to a wide range of behaviors in (CuCl)LaNb2O7 and related compounds, we theoretically …
We report $^{133}$Cs nuclear magnetic resonance (NMR) measurements on the 2D frustrated Heisenberg antiferromagnet Cs$_2$CuCl$_4$ down to 2 K and up to 15 T. We show that $^{133}$Cs NMR is a good probe of the magnetic degrees of freedom in this material. Cu spin degrees of freedom are sensed through a strong anisotropic hyperfine coupling. The spin excitation gap opens above the critical saturation field. The gap value was determined from the activation energy of the nuclear spin-lattice relaxation rate in a magnetic field applied parallel to the Cu chains (b axis). The values of the g-factor …
We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J4, as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange…
The quasi-two-dimensional Heisenberg spin $S=1/2$ dimer system bis(2-amino-5-fluoro-pyridinium) tetrachlorocuprate(II) is studied by means of inelastic neutron scattering, calorimetry and nuclear magnetic resonance (NMR) experiments. In the absence of an applied magnetic field we find dispersive triplet excitations with a spin gap of $Δ=1.112(15)$ meV and a bandwidth of $0.715(15)$ meV within the layers and $0.116(15)$ meV between the layers, respectively. In an applied magnetic field of $μ_0H_c\approx 8.5$ T the spin gap is closed and we find a field induced antiferromagnetically ordered phas…
We report on a systematic study of the magnetic properties on single crystals of the solid solution Cs$_2$CuCl$_{4-x}$Br$_x$ (0 $\leq$ x $\leq$ 4), which include the two known end-member compounds Cs$_2$CuCl$_4$ and Cs$_2$CuBr$_4$, classified as quasi-two-dimensional quantum antiferromagnets with different degrees of magnetic frustration. By comparative measurements of the magnetic susceptibility $χ$($T$) on as many as eighteen different Br concentrations, we found that the inplane and out-of-plane magnetic correlations, probed by the position and height of a maximum in the magnetic susceptibi…
We report an experimental and theoretical study of the low-temperature specific heat $C$ and magnetic susceptibility $χ$ of the layered anisotropic triangular-lattice spin-1/2 Heisenberg antiferromagnets Cs$_2$CuCl$_{4-x}$Br$_x$ with $x$ = 0, 1, 2, and 4. We find that the ratio $J'/J$ of the exchange couplings ranges from 0.32 to $\approx 0.78$, implying a change (crossover or quantum phase transition) in the materials' magnetic properties from one-dimensional (1D) behavior for $J'/J < 0.6$ to two-dimensional (2D) behavior for $J'/J \approx 0.78$ behavior. For $J'/J < 0.6$, realized for $x$ = …
Based on a realistic spin Hamiltonian for a frustrated quasi-two dimensional spin-1/2 antiferromagnet Cs$_{2}$CuCl$_{4}$, a three-dimensional spin ordering in the applied magnetic field $B$ near the saturation value $B_{c}$ is studied within the magnon Bose-Einstein condensation (BEC) scenario. With the use of a hard-core boson formulation of the spin model, a strongly anysotropic magnon dispersion in Cs$_{2}$CuCl$_{4}$ is calculated. In the dilute magnon limit near $B_{c}$, the hard-core boson constraint is resulted in an effective magnon interaction which is treated in the Hartree-Fock appro…
Motivated by the recent discovery of the spin tube [(CuCl$_2$tachH)$_3$Cl]Cl$_2$, we investigate the properties of a frustrated three-leg spin tube with antiferromagnetic intra-ring and inter-ring couplings. We pay special attention to the evolution of the properties from weak to strong inter-ring coupling and show on the basis of extensive density matrix renormalization group and exact diagonalization calculations that the system undergoes a first-order phase transition between a dimerized gapped phase at weak coupling that can be described by the usual spin-chirality model and a gapless crit…
The effect of exchange bond randomness on the ground state and the field-induced magnetic ordering was investigated through magnetization measurements in the spin-1/2 mixed quantum spin system (Tl$_{1-x}$K$_{x}$)CuCl$_3$ for $x<0.36$. Both parent compounds TlCuCl$_3$ and KCuCl$_3$ are coupled spin dimer systems, which have the singlet ground state with excitation gaps $Δ/k_{\rm B}=7.7$ K and 31 K, respectively. Due to bond randomness, the singlet ground state turns into the magnetic state with finite susceptibility, nevertheless, the excitation gap remains. Field-induced magnetic ordering, whi…
We present a theoretical and experimental study of a quasi-one-dimensional zigzag antiferromagnet (N_2H_5)CuCl_3, which can be viewed as weakly coupled Heisenberg chains with a frustrated interaction. We first discuss generic features of the magnetic properties of the zigzag spin chain between the nearly single chain case and the nearly double chain case, on the basis of the finite temperature density-matrix renormalization group (DMRG) calculations. We next show the experimental results for the magnetic susceptibility and the high-field magnetization of a single crystal of (N_2H_5)CuCl_3 abov…
We report on high-field magnetic properties of the silver vanadium phosphate Ag(2)VOP(2)O(7). This compound has a layered crystal structure, but the specific topology of the V-P-O framework gives rise to a one-dimensional spin system, a frustrated alternating chain. Low-field magnetization measurements and band structure calculations show that Ag(2)VOP(2)O(7) is close to the dimer limit with the largest nearest-neighbor interaction of about 30 K. High-field magnetization data reveal the critical fields μ_0H_{c1} of about 23 T (closing of the spin gap) and μ_0H_{c2} of about 30 T (saturation by…
We consider topological order and dimer order in several frustrated spin ladder models, which are related to higher dimensional models of current interest; we also address the occurrence of fractionalized phases with deconfined spinon excitations in these models. Combining results obtained with both analytic and numerical methods, we discuss how the occurrence of dimerized or fractionalized phases are dictated by the system's geometry.
We propose a new quantum model interpolating between the fully frustrated spin-1/2 Ising model in a transverse field and a dimer model. This model contains a resonating-valence-bond phase, including a line with an exactly solvable ground state of the Rokhsar-Kivelson type. We discuss the phase diagrams of this model on the square and triangular (in terms of the dimer representation) lattices.
By means of the recently developed algorithm based on the tensor product states, the magnetization process of frustrated spin-1/2 spin-dimer models on a square lattice is investigated. Various field-induced quantum phases are discovered. In particular, clear evidence of a supersolid phase over a finite regime of magnetic field is observed. Critical fields at various field-induced transitions are determined accurately. Our work not only implies that the employed numerical technique can be an efficient algorithm even for the frustrated spin systems, but also shed light on the search of the super…
We present a unified account for the coupled single-hole- and spin-dynamics in the spin-gap phase of dimerized and frustrated spin-chains and two-leg spin ladders. Based on the strong dimer-limit of a one-dimensional $t_123$-$J_123$-model a diagrammatic approach is presented which employs a mapping of the spin-Hamiltonian onto a pseudo-fermion bond-boson model. Results for the single-hole spectrum are detailed. A finite quasi-particle weight is observed and studied for a variety of system parameters. A comparison with existing exact diagonalization data is performed and good agreement is found…
The dimer-plaquette chain undergoes a first order transition driven by frustration to an orthogonal dimer ground state. We analyze the magnetization curve in this orthogonal dimer regime. Besides of the recently found magnetization plateaus at m=1/4 and the m=1/2 we find an infinite sequence of plateaus between m=1/4 and m=1/2. These additional plateaus belong to magnetizations m(n)=n/(2n+2), where n is a positive integer number.
We report magnetization, nuclear magnetic resonance (NMR), nuclear quadrupole resonance (NQR), and transmission electron microscopy (TEM) studies on the quasi-two-dimensional spin-gap system (CuCl)LaNb2O7, a possible candidate for the J1-J2 model on a square lattice. A sharp single NQR line is observed at the Cu and Cl sites, indicating that both Cu and Cl atoms occupy a unique site. However, the electric field gradient tensors at the Cu, Cl, and La sites do not have axial symmetry. This is incompatible with the reported crystal structure. Thus the J1-J2 model has to be modified. We propose al…
Aiming to describe frustrated quantum magnets with non-magnetic singlet ground states, we have extended the Rokhsar-Kivelson (RK) loop-expansion to derive a generalized Quantum Dimer Model containing only connected terms up to arbitrary order. For the square lattice frustrated Heisenberg antiferromagnet (J1-J2-J3 model), an expansion up to 8th order shows that the leading correction to the original RK model comes from dimer moves on length-6 loops. This model free of the original sign problem is treated by advanced numerical techniques. The results suggest that a rotationally anisotropic plaqu…
We present a Density Matrix Renormalization Group (DMRG) study of the ground-state properties of spin-1/2 frustrated $J_1-J_3$ Heisenberg $n_l$-leg ladders (with $n_l$ up to 8). For strong frustration ($J_3/J_1\simeq 0.5$), both even- and odd-leg ladders display a finite gap to spin excitations, which we argue remains finite in the two-dimensional limit. In this regime, on odd-leg ladders the ground state is spontaneously dimerized, in agreement with the Lieb-Schultz-Mattis prediction, while on even-leg ladders the dimer correlations decay exponentially. The magnitude of the dimer order parame…
We study the frustrated dimer-plaquette quantum spin chain for ferromagnetic dimer bonds. This quantum system undergoes a series of first-order ground-state phase transitions driven by frustration or by a magnetic field. We find that the different nature of the ground-state phases has a strong influence on the magnetization curve as well as the low-temperature thermodynamics. In particular, the magnetization curve exhibits plateaus and jumps, the number of which depends on the strength of frustration. The temperature dependence of the susceptibility may either show activated spin-gap behaviour…
Building on recent neutron and NMR experiments, we investigate the field-induced exotic criticality observed in the frustrated spin-1/2 dimer compound BaCuSi2O6 using a frustrated model with two types of bilayers. A semiclassical treatment of the effective hard-core boson model shows that perfect inter-layer frustration leads to a 2D-like critical exponent phi=1 without logarithmic corrections and to a 3D low temperature phase with different but non vanishing triplet populations in both types of bilayers. These results further suggest a simple phenomenology in terms of a field-dependent transv…
This paper demonstrates that a computer aided perturbation theory can easily be realized by use of a cumulant approach. In contrast to a recent alternative formulation on the basis of Wegner's flow equation method the present approach can be applied to systems with arbitrary Hilbert space. In particular an equidistant spectrum of the unperturbed part of the Hamiltonian is not needed. The method is illustrated in detail for dimerized and frustrated spin 1/2 chains for which the ground state energy is calculated up to seventh order perturbation theory.
The spin-1/2 J1-J2 antiferromagnet is a prototypical model for frustrated magnetism and one possible candidate for a realization of a spin liquid phase. The generalization of this system on the anisotropic square lattice is given by the J1-J2-J1'-J2' Heisenberg model, which can be treated by a renormalization group (RG) analysis of coupled frustrated chains. The J1-J2-J1'-J2'-model shows an interesting interplay of Néel order, dimerization, and spin liquid behavior. The analytical findings supported by numerical results indicate that for the isotropic model the phase at intermediate coupling s…
We present a detailed numerical analysis of the low energy excitation spectrum of a frustrated and dimerized spin $S=1/2$ Heisenberg chain. In particular, we show that in the commensurate spin--Peierls phase the ratio of the singlet and triplet excitation gap is a universal function which depends on the frustration parameter only. We identify the conditions for which a second elementary triplet branch in the excitation spectrum splits from the continuum. We compare our results with predictions from the continuum limit field theory . We discuss the relevance of our data in connection with recen…
We solve the Sp(N) Heisenberg and SU(N) Hubbard-Heisenberg models on the anisotropic triangular lattice in the large-N limit. These two models may describe respectively the magnetic and electronic properties of the family of layered organic materials $κ$-(BEDT-TTF)$_2$X. The Heisenberg model is also relevant to the frustrated antiferromagnet, Cs$_2$CuCl$_4$. We find rich phase diagrams for each model. The Sp(N) antiferromagnet is shown to have five different phases as a function of the size of the spin and the degree of anisotropy of the triangular lattice. The effects of fluctuations at finit…
We present a comprehensive review of nuclear magnetic resonance (NMR) studies performed on three nanoscale molecular magnets with different configurations of geometrically frustrated antiferromagnetic (AFM) triangles, new spin frustration systems with different novel structures: (1) the isolated single AFM triangle K$_6$[V$_{15}$As$_6$O$_{42}$(H$_2$O)]$\cdot$8H$_2$O (in short V15), (2) the spin ball [Mo$_{72}$Fe$_{30}$O$_{252}$(Mo$_2$O$_7$(H$_2$O))$_2$ (Mo$_2$O$_8$H$_2$(H$_2$O))(CH$_3$COO)$_{12}$(H$_2$O)$_{91}$]$\cdot$150H$_2$O (in short Fe30 spin ball), and (3) the twisted triangular spin tub…
The phase diagram of a frustrated S=1/2 antiferromagnetic spin ladder with additional next-nearest neighbor exchanges, both diagonal and inchain, is studied by a weak-coupling effective field theory approach combined with exact diagonalization for finite systems. In addition to two known phases with rung-singlet and Haldane-type ground states, we observe two new phases with dimerization along the chains. Furthermore, the transitions between the different phases are studied and shown to be either first order or to belong to the universality class of the two-dimensional Ising model. The nature o…
We have considered the 1D dimerized frustrated antiferromagnetic (ferromagnetic) Heisenberg model with arbitrary spin $S$. The exact classical magnetic phase diagram at zero temperature is determined using the LK cluster method. Cluster method results, show that the classical ground state phase diagram of the model is very rich including first and second-order phase transitions. In the absence of the dimerization, a second-order phase transition occurs between antiferromagnetic (ferromagnetic) and spiral phases at the critical frustration $α_c=\pm 0.25$. In the vicinity of the critical points …
We propose a general non-perturbative scheme that quantitatively maps the low-energy sector of spin-1/2 frustrated Heisenberg antiferromagnets to effective Generalized Quantum Dimer Models. We develop the formal lattice independent frame and establish some important results on (i) the locality of the generated Hamiltonians (ii) how full resummations can be performed in this renormalization scheme. The method is then applied to the much debated kagome antiferromagnet for which a fully resummed effective Hamiltonian - shown to capture the essential properties and provide deep insights on the mic…
In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, $triplet$ $dimerization$ has not been observed in any 3D or quasi-2D material. With this in mind we here discuss the electronic structure of the spin-orbit driven $5d^5$ Mott insulator Li$_2$IrO$_3$, a honeycomb-lattice system with two crystallographically inequivalent Ir-Ir bonds. From $ab$ $initio$ many-body calculations we find that, while both Heisenberg and Kitaev couplings are present, the magnetic interactions are dominated by a strong isotropic ferromagnetic exchange on only one set of bonds. T…
Ba3Mn2O8 is a spin-dimer compound based on pairs of S = 1, 3d2, Mn5+ ions arranged on a triangular lattice. Antiferromagnetic intradimer exchange leads to a singlet ground state in zero-field, with excited triplet and quintuplet states at higher energy. High field thermodynamic measurements are used to establish the phase diagram, revealing a substantial asymmetry of the quintuplet condensate. This striking effect, all but absent for the triplet condensate, is due to a fundamental asymmetry in quantum fluctuations of the paramagnetic phases near the various critical fields.
$^{63/65}$Cu- and $^{35/37}$Cl-NMR experiments were performed to investigate triplet localization in the $S=1/2$ dimer compound NH$_4$CuCl$_3$, which shows magnetization plateaus at one-quarter and three-quarters of the saturation magnetization. In $^{63/65}$Cu-NMR experiments, signal from only the singlet Cu site was observed, because that from the triplet Cu site was invisible due to the strong spin fluctuation of onsite 3$d$-spins. We found that the temperature dependence of the shift of $^{63/65}$Cu-NMR spectra at the singlet Cu site deviated from that of macroscopic magnetization below T=…
A quantum mechanical picture is presented to describe the behavior of confined spinons in a variety of S=1/2 chains. The confinement is due to dimerization and frustration and it manifests itselfas a nonlinear potential V(x)~ |x|^b, centered at chain ends (b <= 1) or produced by modulation kinks (b > 1). The calculation extends to weak or zero frustration some previous ideas valid for spinons in strongly frustrated spin chains. The local magnetization patterns of the confined spinons are calculated. A (minimum) enhancement of the local moments of about 11/3 over a single S=1/2 is found. Estima…
A two-leg spin-1/2 ladder with diagonal interactions is investigated numerically. We focus our attention on the possibility of columnar dimer phase, which was recently predicted based on a reformulated bosonization theory. By using density matrix renormalization group technique and exact diagonalization method, we calculate columnar dimer order parameter, spin correlation on a rung, string order parameters, and scaled excitation gaps. Carefully using various finite-size scaling techniques, our results show no support for the existence of columnar dimer phase in the spin ladder under considerat…
The magnetization process of a frustrated spin-1/2 spin-dimer model on a square lattice is investigated by means of a sign-problem-free quantum Monte Carlo algorithm developed recently. Rich field-induced quantum phases are discovered. We find two spin superfluids satisfying different symmetries upon layer permutation. There exist as well two solid phases with distinct checkerboard patterns. Besides, two kinds of spin supersolids are observed over a finite regime of magnetic fields. The latter two phases can be stabilized when small but nonzero spin anisotropy is present. Various field-induced…
We consider the ground state and the elementary excitations of an array of spin-Peierls chains coupled by elastic and magnetic interactions. It is expected that the effect of the magnetic interchain coupling will be to reduce the dimerization amplitude and that of the elastic coupling will be to confine the spin one-half solitons corresponding to each isolated chain. We show that this is the case when these interactions are not frustrated. On the other hand, in the frustrated case we show that the amplitude of dimerization in the ground state is independent of the strength of the interchain ma…
We report muon spin relaxation ($μ$SR) and magnetic susceptibility measurements on Cu(Cl,Br)La(Nb,Ta)$_{2}$O$_{7}$, which demonstrate: (a) the absence of static magnetism in (CuCl)LaNb$_{2}$O$_{7}$ down to 15 mK confirming a spin-gapped ground state; (b) phase separation between partial volumes with a spin-gap and static magnetism in (CuCl)La(Nb,Ta)$_{2}$O$_{7}$; (c) history-dependent magnetization in the (Nb,Ta) and (Cl,Br) substitution systems; (d) a uniform long-range collinear antiferromagnetic state in (CuBr)LaNb$_{2}$O$_{7}$; and (e) a decrease of Néel temperature with decreasing Br conc…
We analyze the Drude weight for both spin and thermal transport of one-dimensional spin-1/2 systems by means of exact diagonalization at finite temperatures. While the Drude weights are non-zero for finite systems, we find indications of a vanishing of the Drude weights in the thermodynamic limit for non-integrable models implying normal transport behavior.
Magnetic excitations of the effective spin $S$=1/2 dimerized magnet Ba$_2$CoSi$_2$O$_6$Cl$_2$ have been probed directly via inelastic neutron scattering experiments at temperatures down to 4 K. We observed five types of excitation at 4.8, 5.8, 6.6, 11.4, and 14.0 meV, which are all dispersionless within the resolution limits. The scattering intensities of the three low-lying excitations were found to exhibit different $Q$-dependences. Detailed analysis has demonstrated that Ba$_2$CoSi$_2$O$_6$Cl$_2$ is a two-dimensional spin dimer system described only by a single dimer site, where the triplet…
We study frustrated spin-1/2 dimer systems in two dimensions with a bilayer structure, where spins are ferromagnetically coupled in dimers. Our model includes frustrated two-spin exchange interactions as well as four-spin interaction. We pay particular attention to the spin nematic phase, which does not exhibit any magnetic (spin-dipole) order but has a spin-quadrupolar long-range order. Employing a perturbation calculation, a mean-field approximation, and a numerical many-variable variational Monte Carlo method, we determine ground-state phase diagrams on various two-dimensional lattices. It …
We report on a detailed investigation of the spin-1 $J_1-J_2-J_3$ Heisenberg model, a frustrated model with nearest-neighbor coupling $J_1$, next-nearest neighbor coupling $J_2$, and a three site interaction $J_3\left[({\bf S}_{i-1}\cdot {\bf S}_i)({\bf S}_i\cdot {\bf S}_{i+1})+{\mathrm H.c.}\right]$ previously studied in [Phys. Rev. B 93, 241108(R) (2016)]. Using DMRG and exact diagonalizations, we show that the phase boundaries between the Haldane phase, the next-nearest neighbor Haldane phase and the dimerized phase can be very accurately determined by combining the information deduced from…
We study the effect of spin-orbit interaction on one-dimensional U(1)-invariant frustrated magnets with dominant critical nematic fluctuations. The spin-orbit coupling explicitly breaks the U(1) symmetry of arbitrary global spin rotations about the high-symmetry axis down to $Z_2$ (invariance under a $π$-rotation). Given that the nematic order parameter is invariant under a $π$-rotation, it is relevant to ask if other discrete symmetries can be spontaneously broken. Here we demonstrate that the spin-orbit coupling induces a bond density wave that spontaneously breaks the translational symmetry…
The ground state of a spin-1/2 Heisenberg chain with both frustration and long-range interactions is studied using Lanczos exact diagonalization. The evolution of the well known dimerization transition of the system with short-range frustrated interactions (the J1-J2 chain) is investigated in the presence of additional unfrustrated interactions decaying with distance as 1/r^a. It is shown that the continuous (infinite-order) dimerization transition develops into a first-order transition between a long-range ordered antiferromagnetic state and a state with coexisting dimerization and critical s…
We investigate quantum phase transitions in the frustrated orthogonal-dimer chain with an arbitrary spin $S \geq 1/2$. When the ratio of the competing exchange couplings is varied, first-order phase transitions occur 2S times among distinct spin-gap phases. The introduction of single-ion anisotropy further enriches the phase diagram. The phase transitions described by the present model possess most of the essential properties inherent in frustrated quantum spin systems.
We report on refined experimental results concerning the low-temperature specific heat of the frustrated spin tube material [(CuCl2tachH)3Cl]Cl2. This substance turns out to be an unusually perfect spin tube system which allows to study the physics of quasi-one dimensional antiferromagnetic structures in rather general terms. An analysis of the specific heat data demonstrates that at low enough temperatures the system exhibits a Tomonaga-Luttinger liquid behavior corresponding to an effective spin-3/2 antiferromagnetic Heisenberg chain with short-range exchange interactions. On the other hand,…
We study a family of frustrated anti-ferromagnetic spin-$S$ systems with a fully dimerized ground state. This state can be exactly obtained without the need to include any additional three-body interaction in the model. The simplest members of the family can be used as a building block to generate more complex geometries like spin tubes with a fully dimerized ground state. After present some numerical results about the phase diagram of these systems, we show that the ground state is robust against the inclusion of weak disorder in the couplings as well as several kinds of perturbations, allowi…
We study spontaneous dimerization and emergent criticality in a spin-3/2 chain with antiferromagnetic nearest-neighbor $J_1$, next-nearest-neighbor $J_2$ and three-site $J_3$ interactions. In the absence of three-site interaction $J_3$, we provide evidence that the model undergoes a remarkable sequence of three phase transitions as a function of $J_2/J_1$, going successively through a critical commesurate phase, a partially dimerized gapped phase, a critical floating phase with quasi-long-range incommensurate order, to end up in a fully dimerized phase at very large $J_2/J_1$. In the field the…
A frustrated spin-$1/2$ XXZ chain model comprising a ferromagnetic nearest-neighbor coupling with the bond alternation, $J_1(1\pmδ)<0$, and an antiferromagnetic second-neighbor exchange coupling $J_2>0$ is studied at zero and weak magnetic fields by means of density matrix renormalization group calculations of order parameters, correlation functions and the entanglement entropy as well as an Abelian bosonization analysis. At zero magnetic field, the bond alternation $δ>0$ suppresses the gapless phase characterized by a vector-chiral (VC) long-range order (LRO) and a quasi-LRO of an incommensur…
The recently discovered material Cs$_3$Fe$_2$Br$_9$ contains Fe$_2$Br$_9$ bi-octahedra forming triangular layers with hexagonal stacking along the $c$ axis. In contrast to isostructural Cr-based compounds, the zero-field ground state is not a nonmagnetic $S=0$ singlet-dimer state. Instead, the Fe$_2$Br$_9$ bi-octahedra host semiclassical $S=5/2$ Fe$^{3+}$ spins with a pronounced easy-axis anisotropy along $c$ and interestingly, the intra-dimer spins are ordered ferromagnetically. The high degree of magnetic frustration due to (various) competing intra- and inter-dimer couplings leads to a surp…
We study here different regions in phase diagrams of the spin-1/2, spin-1 and spin-3/2 one dimensional antiferromagnetic Heisenberg systems with frustration (next-nearest-neighbor interaction $J_2$) and dimerization ($δ$). In particular, we analyze the behaviors of the bipartite entanglement entropy and fidelity at the gapless to gapped phase transitions and across the lines separating different phases in the $J_2-δ$ plane. All the calculations in this work are based on numerical exact diagonalizations of finite systems.
We give a short review of our recent works on the first-order quantum phase transitions in frustrated spin chains with orthogonal-dimer structure. When the ratio of the competing antiferromagnetic exchange couplings is varied, a first-order transition occurs between the dimer phase and the plaquette phase, which is accompanied by the discontinuity in the spin excitation gap. We further show that strong frustration triggers the phase transitions in a magnetic field, which exhibit plateaus and jumps in the magnetization curve. The hole-doping effect is also addressed for the orthogonal-dimer cha…
