Using (infinite) density matrix renormalization group techniques, ground state properties of antiferromagnetic S=1 Heisenberg spin chains with exchange and single-site anisotropies in an external field are studied. The phase diagram is known to display a plenitude of interesting phases. We elucidate quantum phase transitions between the supersolid and spin-liquid as well as the spin-liquid and the ferromagnetic phases. Analyzing spin correlation functions in the spin-liquid phase, commensurate and (two distinct) incommensurate regions are identified.
We investigate the low-temperature properties of the spin-1 antiferromagnetic Heisenberg chain with bond-alternation by the quantum Monte Carlo method (loop algorithm). The strength of bond-alternation at the gapless point is estimated as $δ_{c}=0.2595\pm0.0005$. We confirm numerically that the low-temperature properties at the gapless point are consistent with field theoretical predictions. The numerical results are compared with those of the spin-1/2 antiferromagnetic Heisenberg chain and recent experimental results for [\{Ni(333-tet)($μ$-N$_3$)\}$_n$](ClO$_4$)$_n$ (333-tet=tetraamine $N,N^{…
Using density matrix renormalization group calculations, ground state properties of the spin-1 Heisenberg chain with exchange and quadratic single-ion anisotropies in an external field are studied, for special choices of the two kinds of anisotropies. In particular, the phase diagram includes antiferromagnetic, spin-liquid (or spin-flop), (10), and supersolid (or biconical) phases. Especially, new features of the spin-liquid and supersolid phases are discussed. Properties of the quantum chains are compared to those of corresponding classical spin chains.
The magnetization process of the S=3/2 antiferromagnetic Heisenberg chain with the single-ion anisotropy D at T=0 is investigated by the exact diagonalization of finite clusters and finite-size scaling analyses. It is found that a magnetization plateau appears at m=1/2 for $D>D_c=0.93 \pm 0.01$. The phase transition with respect to D at D_c is revealed to be the Kosterlitz-Thouless-type. The magnetization curve of the infinite system is also presented for some values of D.
We study thermodynamic properties of the one-dimensional Heisenberg ferrimagnet with antiferromagnetically exchange-coupled two kinds of spins 1 and 1/2. The specific heat and the magnetic susceptibility are calculated employing a modified spin-wave theory as well as a quantum Monte Carlo method. The specific heat is in proportion to $T^{1/2}$ at low enough temperatures but shows a Schottky-like peak at mid temperatures. The susceptibility diverges as $T^{-2}$. We reveal that at low temperatures the model is regarded as a ferromagnet, while at mid temperatures it behaves like a gapped antiferr…
Ordering of the geometrically frustrated two-dimensional Heisenberg antiferromagnet on a pyrochlore slab is studied by Monte Carlo simulations. The model is expected to serve as a reference system of SrCrGaO compound studied extensively. In sharp contrast to the kagomé Heisenberg antiferromagnet, the model exhibits locally non-coplanar spin structures at low temperatures, bearing nontrivial chiral degrees of freedom. We find that under certain conditions the model exhibits a novel Kosterlitz-Thouless-type transition at a finite temperature associated with these chiral degrees of freedom. Impli…
We investigate the thermodynamic properties of Heisenberg ferrimagnetic mixed-spin chains both numerically and analytically with particular emphasis on the combination of ferromagnetic and antiferromagnetic features. Employing a new density-matrix renormalization-group technique as well as a quantum Monte Carlo method, we reveal the overall thermal behavior: At very low temperatures, the specific heat and the magnetic susceptibility times temperature behave like $T^{1/2}$ and $T^{-1}$, respectively, whereas at intermediate temperatures, they exhibit a Schottky-like peak and a minimum, respecti…
Exact ground state properties of antiferromagnetic Heisenberg spin rings with isotropic next neighbour interaction are presented for various numbers of spin sites and spin quantum numbers. Earlier work by Peierls, Marshall, Lieb, Schultz and Mattis focused on bipartite lattices and is not applicable to rings with an odd number of spins. With the help of exact diagonalization methods we find a more general systematic behaviour which for instance relates the number of spin sites and the individual spin quantum numbers to the degeneracy of the ground state. These numerical findings all comply wit…
Static and dynamic structure factors of Heisenberg ferrimagnetic spin chains are numerically investigated. There exist two distinct branches of elementary excitations, which exhibit ferromagnetic and antiferromagnetic aspects. The ferromagnetic feature is smeared out with the increase of temperature, whereas the antiferromagnetic one persists up to higher temperatures. The scattering intensity is remarkably large at lower boundaries of the ferromagnetic and antiferromagnetic spectra. All these observations are consistent with the ferromagnetic-to-antiferromagnetic crossover in the thermal beha…
One dimensional S=1 antiferromagnetic Heisenberg chains with bond alternation and uniaxial single-ion-type anisotropy are studied by numerical exact diagonalization of finite size systems. We calculate the ground state phase diagram using the twisted boundary condition method for $D\geq 0$. The ground states of this model contain the Haldane state, large-D state and the dimer state. Using conformal field theory and the level spectroscopy method, we calculate the D and $δ$-dependence of the Luttinger liquid paraments K and the critical exponent $ν$ of the energy gap.
In order to confirm the picture of domain-wall excitations in the hidden antiferromagnetic order of the Haldane phase, the structure of the low-lying excitations in the S=1 antiferromagnetic Heisenberg chain is studied by a quantum Monte Carlo method. It is confirmed that there exists a finite energy gap between the first- and the second-excited states at $k=π$ as well as between the ground state and the first-excited state at $k=π$. In the thermodynamic limit, the second-excited state at $k=π$ is separated from the ground state by the gap which is three times as large as the Haldane gap. From…
A theory of coupled ferro- and antiferromagnetic Heisenberg layers is developed within the framework of many-body Green's function theory (GFT) that allows non-collinear magnetic arrangements by introducing sublattice structures. As an example, the coupled ferro- antiferromagnetic (FM-AFM) bilayer is investigated. We compare the results with those of bilayers with purely ferromagnetic or antiferromagnetic couplings. In each case we also show the corresponding results of mean field theory (MFT), in which magnon excitations are completely neglected. There are significant differences between GFT …
The sawtooth chain with pairs of $S=1/2$ spins interacting with $XXZ$-interactions placed on each second tooth is considered. All other interaction bonds are taken to be of Ising type. Exact statistical mechanical solution of the model within the direct transfer-matrix technique is obtained. The solution allows one to obtain exact analytic expressions for all thermodynamic functions of the model. Ground stated properties are also investigated, the corresponding ground state phase diagram is presented.
We investigate a one-dimensional S=1 antiferromagnetic Heisenberg model coupled to a lattice distortion by a quantum Monte Carlo method. Investigating the ground state energy of the static bond-alternating chain, we find that the instability to a dimerized chain depends on the value of the spin-phonon coupling, unlike the case of S=1/2. The spin state is the dimer state or the uniform Haldane state depending on whether the lattice distorts or not, respectively. At an intermediate value of the spin-phonon coupling, we find the first-order transition between the two states. We also find the coex…
The effect of the anisotropy in the exchange interaction on the hysteresis loops within the anisotropic quantum Heisenberg model has been investigated with the effective field theory for two spin cluster. Particular attention has been devoted on the behavior of the hysteresis loop area, coercive field and remanent magnetization with the anisotropy in the exchange interaction for both ferromagnetic and paramagnetic phases.
The effect of the anisotropy in the exchange interaction and film thickness on the hysteresis behavior of the anisotropic Heisenberg thin film has been investigated with effective field formulation in a two spin cluster using the decoupling approximation. The behaviors of the hysteresis loop area, coersive field and remanent magnetization with the film thickness and anisotropy in the exchange interaction have been obtained.
The low energy properties of the spin-1/2 random Heisenberg chain with ferromagnetic and antiferromagnetic interactions are studied by means of the density matrix renormalization group (DMRG) and real space renormalization group (RSRG) method for finite chains. The results of the two methods are consistent with each other. The deviation of the gap distribution from that of the random singlet phase and the formation of the large-spin state is observed even for relatively small systems. For a small fraction of the ferromagnetic bond, the effect of the crossover to the random singlet phase on the…
We investigate a frustrated Heisenberg spin-1/2 antiferromagnet on a fractal lattice of dimension d=ln3/ln2 (Sierpinski gasket). Calculations were performed using (a) exact diagonalization of all eigenstates and eigenvectors for systems up to N=15 and (b) the Decoupled-Cell Quantum-Monte-Carlo method for systems up to N=366. We present the low-lying spectrum and the specific heat. The specific heat shows a second maximum in the low-temperature region. This behavior is similar to the behavior of the quantum Heisenberg antiferromagnet on a kagome lattice and suggests a disordered ground state an…
An antiferromagnetic S=1/2 Heisenberg chain is mapped to the two-flavor massless Schwinger model at θ=π. The electromagnetic coupling constant and velocity of light in the Schwinger model are determined in terms of the Heisenberg coupling and lattice spacing in the spin chain system.
The antiferromagnetic Heisenberg spin systems on the three-leg ladder are investigated. Periodic boundary condition is imposed in the rung direction. The system has an excitation gap for all antiferromagnetic inter-chain coupling ($J_{\perp}>0$). The estimated gap for the strong coupling limit ($J_{\perp}/J_1 \to \infty$) is 0.28$J_1$. Although the interaction is homogeneous and only nearest-neighbor, the ground states of the system are dimerized and break the translational symmetry in the thermodynamic limit. Introducing the next-nearest neighbor coupling ($J_2$), we can see that the system i…
Motivated by experiments on (Sr,Ca,La)_14 Cu_24 O_41, a two-dimensional Ising model with mobile defects and a two-dimensional anisotropic Heisenberg antiferromagnet have been proposed and studied recently. We extend previous investigations by analysing phase diagrams of both models in external fields using mainly Monte Carlo techniques. In the Ising case, the phase transition is due to the thermal instability of defect stripes, in the Heisenberg case additional spin-flop structures play an essential role.
The hysteresis behaviors of anisotropic S-1 Heisenberg model have been studied within the effective field theory with two spin cluster. After giving the phase diagrams, the effect of the crystal field and anisotropy in the exchange interaction on the hysteresis loops have been determined. One important finding is double hysteresis loop behavior of the system in the low temperature and negative crystal field region, which disappears with the decreasing anisotropy in the exchange interaction. This behavior was carefully investigated and physical explanation has also been given.
By considering the appropriate finite-size effect, we explain the connection between Monte Carlo simulations of two-dimensional anisotropic Heisenberg antiferromagnet in a field and the early renormalization group calculation for the bicritical point in $2+ε$ dimensions. We found that the long length scale physics of the Monte Carlo simulations is indeed captured by the anisotropic nonlinear $σ$ model. Our Monte Carlo data and analysis confirm that the bicritical point in two dimensions is Heisenberg-like and occurs at T=0, therefore the uncertainty in the phase diagram of this model is remove…
The classical, square lattice, uniaxially anisotropic Heisenberg antiferromagnet in a magnetic field parallel to the easy axis is studied using Monte Carlo techniques. The model displays a long-range ordered antiferromagnetic, an algebraically ordered spin-flop, and a paramagnetic phase. The simulations indicate that a narrow disordered phase intervenes between the ordered phases down to quite low temperatures. Results are compared to previous, partially conflicting findings on related classical models as well as the quantum variant with spin S=1/2.
Corrections to the asymptotic correlation function in a Heisenberg spin-1/2 antiferromagnetic spin chain are known to vanish slowly (logarithmically) as a function of the distance r or the chain size L. This leads to significant differences with numerical results. We calculate the sub-leading logarithmic corrections to the finite-size correlation function, using renormalization group improved perturbation theory, and compare the result with numerical data.
Employing the Jordan-Wigner transformation on a unique path and then making a mean-field treatment of the fermionic Hamiltonian, we semiquantitatively describe the spin-gap states of Heisenberg ladders in a field. The appearance of magnetization plateaux is clarified as a function of the number of legs.
In terms of spinless fermions via the Jordan-Wigner transformation along a snake-like path and spin waves modified so as to restore the sublattice symmetry, we investigate static and dynamic properties of two-leg antiferromagnetic Heisenberg ladders. The specific heat is finely reproduced by the spinless fermions, whereas the magnetic susceptibility is well described by the modified spin waves. The nuclear spin-lattice relaxation rate is discussed in detail with particular emphasis on its novel field dependence.
The low temperature magnetization process of the ferromagnetic-antiferromagnetic Heisenberg chain is studied using the interacting boson approximation. In the low field regime and near the saturation field, the spin wave excitations are approximated by the $δ$ function boson gas for which the Bethe ansatz solution is available. The finite temperature properties are calculated by solving the integral equation numerically. The comparison is made with Monte Carlo calculation and the limit of the applicability of the present approximation is discussed.
Using Bethe-ansatz solutions, we uncover a well-defined continuum in dynamical structure factor $S^{+-}(k,ω)$ of the spin-1/2 antiferromagnetic Heisenberg chain in magnetic fields. It comes from string solutions which continuously connect the mode of the lowest-energy excitations in the zero-field limit and that of bound states of overturned spins from the ferromagnetic state near the saturation field. We confirm the relevance to real materials through comparisons with experimental results.
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.
We consider the transverse dynamical structure factor of the anisotropic Heisenberg spin-1/2 chain (XXZ model) in the gapped antiferromagnetic regime ($Δ> 1$). Specializing to the case of zero field, we use two independent approaches based on integrability (one valid for finite size, the other for the infinite lattice) to obtain the exact two-spinon part of this correlator. We discuss in particular its asymmetry with respect to the $π/2$ momentum line, its overall anisotropy dependence, and its contribution to sum rules.
Effects of randomness on the spin-1/2 and 1 antiferromagnetic Heisenberg chains are studied using the quantum Monte Carlo method with the continuous-time loop algorithm. We precisely calculated the uniform susceptibility, string order parameter, spatial and temporal correlation length, and the dynamical exponent, and obtained a phase diagram. The generalization of the continuous-time loop algorithm for the systems with higher-S spins is also presented.
The spin-1/2 ferromagnetic-antiferromagnetic alternating Heisenberg chain with ferromagnetic next-nearest-neighbour (NNN) interaction is investigated. The ground state is the Haldane phase for weak NNN interaction, and is the ferromagnetic phase for weak antiferromagnetic interaction. We find a series of topologically distinct spin-gap phases with various magnitudes of edge spins for strong NNN interaction. The phase boundaries between these phases are determined on the basis of the DMRG calculation with additional spins that compensate the edge spins. It is found that each of the exact soluti…
The magnetization process of the spin-1/2 antiferromagnetic Heisenberg model on two-dimensional square-kagome lattice is studied theoretically. The metamagnetic jumps exist in the magnetization process at the higher edge of the 1/3 and 2/3 plateaus. The parameter-dependencies of the critical field and the magnitude of the magnetization jump at the higher edge of the 1/3 plateau are obtained by using the approximated state in the unit cell and compared with the nu- merical results of the exact diagonalization of 42 sites.
The real-space RG approach is applied to study critical temperatures of system consisting of interacting spin chains of spin S=1 with an inner antiferromagnetic exchange which form a honeycomb crystal lattice. Using anisotropic Heisenberg model we calculate critical temperature as a function of anisotropic parameter and the ratio of interchain and intrachain interactions. A comparison our results with those obtained from RGRS calculations for the same model of spin-1/2 on a square lattice is given.
In this work we deal with doubly decorated Ising-Heisenberg models on planar lattices. Applying the generalized decoration-iteration transformation we obtain exact results for the antiferromagnetic version of the model. The existence of a new quantum dimerized phase is predicted and its physical properties are studied and analyzed. Particular attention has been paid to the investigation of the phase boundaries, pair-correlation functions and specific heat. A possible application of the present work to some molecular magnets is also drawn.
We suggest a general rule for the shift quantum numbers k of the relative ground states of antiferromagnetic Heisenberg spin rings. This rule generalizes well-known results of Marshall, Peierls, Lieb, Schultz, and Mattis for even rings. Our rule is confirmed by numerical investigations and rigorous proofs for special cases, including systems with a Haldane gap. Implications for the total spin quantum number S of relative ground states are discussed as well as generalizations to the XXZ model.
The thermodynamic and magnetic properties of MnCl3(C12H8N2), have been studied down to 2 K. The material is an S = 2 antiferromagnetic linear chain that undergoes long-range ordering to a canted antiferromagnetic state at 23 K. The comparison of magnetic data from polycrystalline samples with the results of specific heat measurements using a pressed pellet of powder reveals the importance of the length of the chains in the sample in relation to the magnetic correlation length.
We introduce variants of the Ma-Dasgupta renormalization-group approach for random quantum spin chains, in which the energy-scale is reduced by decimation built on either perturbative or non-perturbative principles. In one non-perturbative version of the method, we require the exact invariance of the lowest gaps, while in a second class of perturbative Ma-Dasgupta techniques, different decimation rules are utilized. For the S=1 random antiferromagnetic Heisenberg chain, both type of methods provide the same type of disorder dependent phase diagram, which is in agreement with density-matrix ren…
Thermodynamic properties of a tetramer ferro-ferro-antiferro-antiferromagnetic Ising-Heisenberg bond alternating chain are investigated by the use of an exact mapping transformation technique. Exact results for the magnetization, susceptibility and specific heat in the zero as well as nonzero magnetic field are presented and discussed in detail. The results obtained from the mapping are compared with the relevant experimental data of Cu(3-Clpy)$_2$(N$_3$)$_2$ (3-Clpy=3-Chloropyridine).
The effect of spatial modulation of the single-site anisotropy D on the ground state of the S=1 Heisenberg chains is investigated. In the case of period 2 modulation, it is found that the phase diagram contains the Haldane phase, large-D phase, Neel phase of udud-type and u0d0-type. It is shown that the hidden antiferromagnetic order in the Haldane phase compatible with the spatial modulation of D-term get frozen resulting in the emergence of various types of Neel orders. The investigation of the model with longer period D-modulation also confirms this picture.
We point out the erroneous reasoning and disprove the conclusions contained in a recent preprint by A. H. Bougourzi (arxiv:1402.3855v1) concerning the spin structure factor of the Heisenberg model at zero field in the thermodynamic limit, as calculated using the vertex operator approach.
Extensive DMRG calculations for spin S=1/2 and S=3/2 disordered antiferromagnetic Heisenberg chains show a rather distinct behavior in the two cases. While at sufficiently strong disorder both systems are in a random singlet phase, we show that weak disorder is an irrelevant perturbation for the S=3/2 chain, contrary to what expected from a naive application of the Harris criterion. The observed irrelevance is attributed to the presence of a new correlation length due to enhanced end-to-end correlations. This phenomenon is expected to occur for all half-integer S > 1/2 chains. A possible phase…
In this work we apply two different real-space renormalization-group (RSRG) approaches to the anisotropic antiferromagnetic spin-1/2 Heisenberg model on the square lattice. Our calculations allow for an approximate evaluation of the $T$ vs. $Δ$ phase-diagram: the results suggest the existence of a critical value of $Δ>0$, at which the critical temperature goes to zero, and the presence of reentrant behavior on the critical line between the ordered and disordered phases. This whole critical line is found to belong to the same universality class as the Ising model. Our results are in accordance …
Using density matrix renormalization group calculations, ground state properties of the spin-1 Heisenberg chain with exchange and single-ion anisotropies in an external field are studied. Our findings confirm and refine recent results by Sengupta and Batista, Physical Review Letters 99, 217205 (2007) (2007), on the same model applying Monte Carlo techniques. In particular, we present evidence for two types of biconical (or supersolid) and for two types of spin-flop (or superfluid) structures. Basic features of the quantum phase diagram may be interpreted qualitatively in the framework of class…
A systematic perturbation theory is developed for the ESR shift and is applied to the spin-1/2 Heisenberg chain. Using the Bethe ansatz technique, we exactly analyze the resonance shift in the first order of perturbative expansion with respect to an anisotropic exchange interaction. Exact result for the whole range of temperature and magnetic field, as well as asymptotic behavior in the low-temperature limit are presented. The obtained g-shift strongly depends on magnetic fields at low temperature, showing a significant deviation from the previous classical result.
We solve in random-phase approximation the anisotropic Heisenberg model, including nearest and next-nearest neighbour interactions by calculating all Green's functions and pair correlation functions in a cumulant decoupling scheme. The general exposition is pedagogic in tone and is intended to be accessible to any graduate student or physicist who is not an expert in the field.
The local Z_N quantized Berry phase for the SU(N) antiferromagnetic Heisenberg spin model is formulated. This quantity, which is a generalization of the local Z_2 Berry phase for SU(2) symmetry, has a direct correspondence to the number of singlet pairs spanning on a particular bond, and is effective as a tool to characterize and classify the various symmetry protected topological phases of one-dimensional SU(N) spin systems. We extend the path-integral quantum Monte Carlo method for the Z_2 Berry phase in order to calculate the ZN Berry phase numerically. We demonstrate our method by calculat…
Effect of exchange anisotropy on the relaxation time of spin and vector chirality is studied for the antiferromagnetic classical Heisenberg model on the triangular lattice by using the nonequilibrium relaxation Monte Carlo method. We identify the Berezinskii-Kosterlitz-Thouless (BKT) transition and the chiral transition in a wide range of the anisotropy, even for very small anisotropy of $\sim$ 0.01%. As the anisotropy decreases, both the critical temperatures steeply decrease, while the BKT critical region becomes divergently wide. We elucidate a sharp "V shape" of the phase diagram around th…
We investigate the low-lying excitation of the antiferromagnetic zigzag spin ladder with Möbius boundary condition. Using the Lanczos and Householder diagonalization methods, we calculate the excitation spectrum of the zigzag ladder in the momentum space. We then show that the topological defect generated by the Möbius boundary provides the clear evidence of the single spinon excitation. On the basis of the obtained single-spinon dispersion curve, we analyze the two-spinon scattering states under the usual periodic boundary condition. We further discuss the interaction effect between the spino…
We investigate the $S=2$ antiferromagnetic quantum spin chain with the exchange and single-ion anisotropies in a magnetic field, using the numerical exact diagonalization of finite-size clusters and the level spectroscopy analysis. It is found that a magnetization plateau possibly appears at a half of the saturation magnetization for some suitable anisotropy parameters. The level spectroscopy analysis indicates that the 1/2 magnetization plateau is formed by two different mechanisms, depending on the anisotropy parameters. The phase diagram of the 1/2 plateau states and some typical magnetizat…
The purpose of this note is to connect early work on thermal transport in spin-1/2 Heisenberg chains with uniaxial exchange anisotropy and nearest-neighbor interactions that was based on a moment analysis of the Fourier transform of the energy density correlation function with subsequent studies that make use of thermal current correlation functions.
The thermal entanglement of a two-qubit anisotropic Heisenberg $XYZ$ chain under an inhomogeneous magnetic field b is studied. It is shown that when inhomogeneity is increased to certain value, the entanglement can exhibit a larger revival than that of less values of b. The property is both true for zero temperature and a finite temperature. The results also show that the entanglement and critical temperature can be increased by increasing inhomogeneous exteral magnetic field.
A series of symmetry-protected topological(SPT) and trivial spin-gap phases in the spin-1/2 ferromagnetic--antiferromagnetic alternating Heisenberg chain with alternating next-nearest-neighbour interaction are investigated using two kinds of entanglement spectra defined by different divisions of the whole chain. In the case one of the next-nearest-neighbor interaction vanishes, the model reduces to the $Δ$-chain in which a series of spin-gap phases are found in J. Phys. Soc. Jpn. 77, 044707 (2008). From the degeneracy of the entanglement spectra, these phases are identified as the SPT and triv…
We present a systematic study of coupled $S=1/2$ Heisenberg antiferromagnetic chains in an effective staggered field. We investigate several effects of the staggered field in the {\em higher} ({\em two or three}) {\em dimensional} spin system analytically. In particular, in the case where the staggered field and the inter-chain interaction compete with each other, we predict, using mean-field theory, a characteristic phase transition. The spin-wave theory predicts that the behavior of the gaps induced by the staggered field is different between the competitive case and the non-competitive case…
In this paper we present a Monte Carlo study of the critical behavior of the easy axis anisotropic Heisenberg spin model in two dimensions. Based on the partial knowledge of the zeros of the energy probability distribution we determine with good precision the phase diagram of the model obtaining the critical temperature and exponents for several values of the anisotropy. Our results indicate that the model is in the Ising universality class for any anisotropy.
