Domain wall theory of elementary excitations in anisotropic antiferromagneticS=1 chains

We present a theoretical investigation of elementary excitations in anisotropic antiferromagneticS=1 chains using the concept of domain walls in string (hidden) order. Domain walls are classified by the internal spin projectionS _dw ^z . We calculate energies and string correlation 0 functions of low lying excited states of the domain wall type in the Haldane phase and compare the results to those of numerical computations. The boundaries of the Haldane phase are determined from the instability of these excitations with respect to the ground state. The interaction between two domain walls is found to be proportional to the productS _dw ^z , S _dw ^z ₂, it is effectively repulsive 0140 for equal spin projections.     

Monte-Carlo study of correlations in quantum spin chains at non-zero temperature

Antiferromagnetic Heisenberg spin chains with various spin values (S=1/2,1,3/2,2,5/2) are studied numerically with the quantum Monte-Carlo method. Effective spin S chains are realized by ferromagnetically coupling n=2S antiferromagnetic spin chains with S=1/2. The temperature dependence of the uniform susceptibility, the staggered susceptibility, and the static structure factor peak intensity are computed down to very low temperatures, . The correlation length at each temperature is deduced from numerical measurements of the instantaneous spin-spin correlation function. At high temperatures, very good agreement with exact results for the classical spin chain is obtained independent of the value of S. For the S=2 chain which has a gap , the correlation length and the uniform susceptibility in the temperature range are well predicted by the semi-classical theory of Damle and Sachdev. Received: 23 December 1997 / Revised and Accepted: 11 March 1998     

Quantum HeisenbergS=1/2 spin glass with ferromagnetic coupling and random Dzyaloshinskii-Moriya interactions

By means of the generalized static replica symmetric spin glass theory, a quantum HeisenbergS=1/2 spin glass model with the infinite-ranged random Dzyaloshinskii-Moriya (DM) interaction and ferromagnetic coupling is investigated. The dependence of entropy, specific heat, susceptibility and the corresponding order parameters on temperature is studied numerically for different ferromagnetic interactions and fixed anisotropy. Two spin glass phases has been found including transverse and mixed spin glass phases. It has been shown that the local susceptibility exhibits double-cusp features for different ferromagnetic coupling (J ₀). Phase transition poins are found in the specific heat-temperature plane at various ferromagnetic coupling values. Additionally, the dependence of the spontaneous moment on temperature is calculated.     

Biquadratic exchange interaction between Ru5+ ions in (Ru2O9) clusters

The energy levels of a Ru₂O₉ cluster have been calculated, including a higher order spin interaction. The Ru⁵⁺-Ru⁵⁺ coupling is described by the Hamiltonian ?= -2JS₁· S₂ ?j(S₁·S₂)². The temperature dependence of the magnetic susceptibility is used to determine the values of the bilinear J and biquadratic j exchange integrals: J/k = -161K and j/k = 6.6K. The second term in the Hamiltonian corresponds to a fourth order perturbation involving low spin states.     

Quantum Monte Carlo Investigation of the magnetic properties of weakly interacting antiferromagnetic chains with an alternating exchange interaction with spin S = 1/2

An approximation dependence of the spontaneous magnetic moment at a site, σ/σ(0) ? 1 = and the antiferromagnet-singlet state phase boundary, J ₂/J ₁ = 0.52(3)δ, are determined by the quantum Monte Carlo method in the self-consistent sublattice molecular field approximation for weakly inter-acting (J ₂) antiferromagnetic chains with spin S = 1/2 and alternating exchange interaction (J ₁ ± δ). The Néél temperature and a number of critical temperatures which could be related with the filling energy of two singlets (ΔS ^z = 0) and one triplet (ΔS ^z = 1) spin bands, each of which is split by the sublattice field (h ^{x, y} ≠ h ^z into two subbands, are determined on the basis of the computed correlation radii of the two-and four-spin correlation function, the squared total spin 〈 (S ^z)²〉 with respect to the longitudinal components, the dimerization parameter, and the correlation functions between the nearest neighbors with respect to longitudinal and transverse spin components. On the basis of the Monte Carlo calculations, the critical temperatures and possible energy gaps at the band center are determined for the antiferromagnets CuWO₄ and Bi₂CuO₄ and for the singlet compounds (VO)₂P₂O₇ and CuGeO₃, agreeing satisfactorily with existing results, and new effects are also predicted.     

Elementary spin excitations in a Heisenberg S=1/2 antiferromagnet with Skyrmions

The elementary spin excitations in two-dimensional Heisenberg antiferromagnets with spin S=1/2 in a metastable, spatially inhomogeneous state are investigated. The energy spectrum of the excitations, the local order parameter, and the temperature dependence of the spin correlation length are found. It is shown that the results obtained can be used to explain the experimental data on neutron scattering in La₂CuO₄ at temperatures T>T _N. Fiz. Tverd. Tela (St. Petersburg) 39, 656–659 (April 1997)     

Low-temperature heat transport of spin-gapped quantum magnets

This article reviews low-temperature heat transport studies of spin-gapped quantum magnets in the last few decades. Quantum magnets with small spins and low dimensionality exhibit a variety of novel phenomena. Among them, some systems are characteristic of having quantum-mechanism spin gap in their magnetic excitation spectra, including spin-Peierls systems, S=1 Haldane chains, S= 1/2 spin ladders, and spin dimmers. In some particular spin-gapped systems, the XY-type antiferromagnetic state induced by magnetic field that closes the spin gap can be described as a magnon Bose-Einstein condensation (BEC). Heat transport is effective in probing the magnetic excitations and magnetic phase transitions, and has been extensively studied for the spin-gapped systems. A large and ballistic spin thermal conductivity was observed in the two-leg Heisenberg S=1/2 ladder compounds. The characteristic of magnetic thermal transport of the Haldane chain systems is quite controversial on both the theoretical and experimental results. For the spin-Peierls system, the spin excitations can also act as heat carriers. In spin-dimer compounds, the magnetic excitations mainly play a role of scattering phonons. The magnetic excitations in the magnon BEC systems displayed dual roles, carrying heat or scattering phonons, in different materials.     

Dynamical interaction of antiferromagnetic subsystems: a neutron scattering study of the spinwave spectrum of the garnet Fe2Ca3(GeO4)3

The Fe³⁺ ions in the garnet Ca₃Fe₂Ge₃O₁₂ form two identical antiferromagnetic subsystems. The interaction between the two subsystems is vanishing within molecular field approximation forq=0. A coupling appears due to the spin fluctuations. The dynamics of the system is described by the Hamiltonian for a Heisenberg antiferromagnet. Symmetry requirements impose two exchange parameters between the sublattices (nearest neighbours)J ₁ in the direction of the 3-fold axis andJ' ₁ in the other three space diagonals. The interaction within each sublattice (second nearest neighbours) is described by the exchange parameterJ ₂. The measured spin wave dispersion curves for the three principal symmetry directions are very well reproduced by a model calculation withJ ₁=-0.909(9) K,J' ₁=-0.307(8) K andJ ₂=-0.615(2)K. The observed intensities are in agreement with predictions from the model. Forq0 the model predicts two acoustic branches going towards zero frequency. A calculation beyond linear spin wave theory forq=0 predicts a quantum gap for the lower acoustic branch. This gap has been found at 0.033(4) THz. An anisotropy gap of 0.007 THz has been taken from the literature.     

Pairing correlations and soft dipole excitations in nuclei on the neutron-drip line

Paring correlations and soft dipole excitations in weakly bound nuclei on the edge of neutrondrip line are studied by using a three-body model. A density-dependent contact interaction is employed to calculate the ground state of halo nuclei ⁶He and ¹¹Li, as well as a skin nucleus ²⁴O. Dipole excitations in these nuclei are also studied within the same model. We point out that the dineutron-type correlation plays a dominant role in the halo nuclei ⁶He and ¹¹Li having the coupled spin of the two neutrons S = 0, while the correlation similar to the BCS type is important in ²⁴O. Contributions of the spin S = 1 and S = 0 configurations are separately discussed in the low-energy dipole excitations. The calculated results are compared with recent experimental data of ⁶He and ¹¹Li. The text was submitted by the authors in English.     

Spin state and exchange in the quasi-one-dimensional antiferromagnet KFeS2

We report the optical spectra and single crystal magnetic susceptibility of the one-dimensional antiferromagnet KFeS₂. Measurements have been carried out to ascertain the spin state of Fe³⁺ and the nature of the magnetic interactions in this compound. The optical spectra and magnetic susceptibility could be consistently interpreted using aS=1/2 spin ground state for the Fe³⁺ ion. The features in the optical spectra have been assigned to transitions within thed-electron manifold of the Fe³⁺ ion, and analysed in the strong field limit of the ligand field theory. The high temperature isotropic magnetic susceptibility is typical of a low-dimensional system and exhibits a broad maximum at ∼565K. The susceptibility shows a well defined transition to a three dimensionally ordered antiferromagnetic state atT _N=250 K. The intra and interchain exchange constants,J andJ′, have been evaluated from the experimental susceptibilities using the relationship between these quantities, andχ _max,T _max, andT _N for a spin 1/2 one-dimensional chain. The values areJ=−440.71 K, andJ′=53.94 K. Using these values ofJ andJ′, the susceptibility of a spin 1/2 Heisenberg chain was calculated. A non-interacting spin wave model was used belowT _N. The susceptibility in the paramagnetic region was calculated from the theoretical curves for an infiniteS=1/2 chain. The calculated susceptibility compares well with the experimental data of KFeS₂. Further support for a one-dimensional spin 1/2 model comes from the fact that the calculated perpendicular susceptibility at 0K (2.75×10⁻⁴ emu/mol) evaluated considering the zero point reduction in magnetization from spin wave theory is close to the projected value (2.7×10⁻⁴ emu/mol) obtained from the experimental data.     

Quasi-one-dimensional spin chains in CuSiO3: an EPR study

Temperature-dependent electron paramagnetic resonance (EPR) studies were performed on CuSiO₃. This recently discovered compound is isostructural with the spin-Peierls compound CuGeO₃. The EPR signals show characteristics different from those of CuGeO₃ and are due to Cu²⁺ spins located along quasi one-dimensional chains. ForT>8.2 K the spin susceptibility closely follows the predictions of anS=1/2 one-dimensional Heisenberg antiferromagnet withJ/k _B=21 K. BelowT=8.2 K the spin susceptibility immediately drops to zero indicating long-range magnetic order.     

Investigation of the magnetic properties of chains with alternating ferro-and antiferromagnetic exchange interactions in the Heisenberg model with spin S=1/2

The quantum Monte Carlo method is used to calculate the susceptibility and pairwise spin-spin correlation functions of chains with alternating ferro (K)-and antiferromagnetic (J)-exchange interactions within the Heisenberg model with spin S=1/2. From the susceptibility, the energy gap between the ground state and excited triplet states is determined or arbitrary ratios K/J. The value of the gap coincides with the Haldane gap for spin S=1 when K/J>1.25. Fiz. Tverd. Tela (St. Petersburg) 41, 1650–1651 (September 1999)     

Phase diagrams in an ultra-thin spin-1 transverse Ising film with bond or site dilution at surfaces

The phase diagrams of two nanoscaled thin films with bond and site dilutions at the surfaces, described by the spin-1 transverse Ising model, are investigated by the use of an effective field theory with correlations. A number of characteristic phenomena have been found in them, which are heavily dependent on the ratios (r = J₁/J and p = Ω_S/Ω, where J is the exchange interaction in the inner layer, J₁ is the exchange interaction between the surface and the next inner layer, Ω_S is the transverse field at the surfaces and Ω is the transverse field in the inner layer). Some of them have exhibited very similar behaviors found in the two spin-1/2 nanoscaled thin films with bond and site dilutions at the surfaces.     

Spin coupling in distorted high-valent Fe(IV)-porphyrin radical complexes

In order to study structural influences on the interaction of Fe(IV) (S=1) and porphyrin cation radical (S=1/2) in high-valent iron porphyrin complexes of the type ¦X-(TMP)Fe=O¦⁺(Cl^–), X=I, Br₂, Br₄ were generated by mCPBA oxidation of corresponding Fe(III) porphyrins. The halogen substitution at the peripheral positions of the porphyrin leads to distortion of the planar porphyrin ring of ¦(TMP)Fe=O¦⁺. The new species have beeen investigated by temperature-dependent EPR and field-dependent Mössbauer spectroscopy; for the evaluation of spectra, we adopted the spin-Hamiltonian formalism including exchange interaction explicitly. As in ¦(TMP)Fe=O¦⁺, strong ferromagnetic spin coupling was observed with|J₀|D=0.9–1 and a zero-field spltting ofD32 cm^–1. For consistent parametrization of EPR and Mössbauer results, anisotropic coupling had to be introduced. Compared to ¦(TMP)Fe=O¦⁺ [1], analysis of the spectroscopic data shows that zero-field splitting and spin coupling is only slightly affected by the halogen distortion of the porphyrin structure.     

Multiparticle continuum in the excitation spectrum of the compound CsNiCl

Recent neutron scattering experiments on CsNiCl₃ reveal some features that are not well described by the standard nonlinear σ model, nor by numerical simulations, for isolated S = 1 spin chains. In particular, in real systems at the antiferromagnetic point of the Brillouin zone, the intensity of the continuum of multiparticle excitations, at T = 6 K, is about 5 times greater than predicted. Also, the spin gap is higher and the correlation length is smaller than predicted. We propose a theoretical scenario where the interchain interaction is approximated by an effective staggered magnetic field, and that yields a correct prediction for the observed quantities. Received 2 October 2002 / Received in final form 19 March 2003 Published online 7 May 2003     

Linear-chain antiferromagnetism in Ni(N2H5)2(SO4)2

The compound dihydrazinium bis(sulfato) niccolate(II), Ni(N₂H₅)₂(SO₄)₂, containing sulfato-bridged chains of Ni(II) ions, can be described as an antiferromagnetic Heisenberg linear-chain system. A reasonable agreement of susceptibility measurements in the temperature region 2–80K, with a theory developed by Weng for antiferromagnetic Heisenberg linear chains with spin S=1, is obtained for a value of the intra-chain interaction $\text{J}\text{k}\text{=?3.35K}$. Preliminary results of specific heat measurements, on the other hand, do not fit quite well using this model. The origin of this discrepancy is suggested to be a zero-field splitting of the single ion.     

Integrable correlated electron model with next-nearest-neighbour interactions

The exactly solvable model of supersymmetric t - J chains (STJC) of correlated electrons with next-nearest-neighbour (NNN) interactions is proposed and studied. The model with interactions between nearest neighbours and NNN interactions in one chain can also be considered as a two-chain model with zigzag-like coupling between the chains. The NNN interaction (coupling between chains) causes the onset of additional Dirac seas for low-lying charge and/or spin excitations. These Dirac seas change the low-energy (conformal) behavior of the model. The filling of those seas depends on the values of the NNN coupling (interactions between chains), external magnetic field and applied voltage. We identify the new ground state phases which appear due to the NNN as incommensurate ones. The NNN coupling in the incommensurate phases induces spontaneous magnetization and/or spontaneous filling of the Dirac sea for charge excitations (“spontaneous charge ordering”). The onset of this order implies a first order quantum phase transition driven by the field with hysteresis phenomena. Received 13 September 2000     

Molecular magnetism of a linear Fe(III)-Mn(II)-Fe(III) complex. Influence of long-range exchange interaction

The magnetic properties of [L-Fe(III)-dmg₃Mn(II)-Fe(III)-L] (ClO₄)₂ have been characterized by magnetic susceptibility, EPR, and Mössbauer studies. L represents 1,4,7-trimethyl-, 1,4,7-triazacyclononane and dmg represents dimethylglyoxime. X-ray diffraction measurements yield that the arrangement of the three metal centers is strictly linear with atomic distancesd _Fe-Mn=0.35 nm andd _Fe-Fe=0.7 nm. Magnetic susceptibility measurements (3–295 K) were analyzed in the framework of the spin-Hamiltonian formalism considering Heisenberg exchange and Zeeman interaction:=J _Fe-Mn(S _Fe1+S _Fe2)S _Mn +J _Fe-Fe(S _Fe1 S _Fe2) +g_B S _total B. The spinsS _Fe1=S _Fe2 =S _Mn=5/2 of the complex are antiferromagnetically coupled, yielding a total spin ofS _total=5/2 with exchange coupling constantsF _Fe-Mn=13.4 cm^–1 andJ _Fe-Fe= 4.5 cm^–1. Magnetically split Mössbauer spectra were recorded at 1.5 K under various applied fields (20 mT, 170 mT, 4T). The spin-Hamiltonian analysis of these spectra yields isotropic magnetic hyperfine coupling withA _total/(g _{N N})=–18.5 T. The corresponding local componentA _Fe is related toA _total via spin-projection:A _total=(6/7)A_Fe. The resultingA _Fe/(g _NN)=–21.6 T is in agreement with standard values of ferric high-spin complexes. Spin-Hamiltonian parameters as obtained from Mössbauer studies and exchange coupling constants as derived from susceptibility measurements are corroborated by temperature-dependent EPR studies.     

Quantum fluctuations and ground state of weakly interacting helix spin chains in a magnetic field

Ferromagnetic spin chains of a hexagonal lattice coupled by a weak antiferromagnetic interaction J₁ develop a helix arrangement if the intrachain antiferromagnetic NNN exchange J₂ is sufficiently large. We show that the classical minimum energy spin configuration is an umbrella when an external magnetic field is applied. The scenario is dramatically changed by quantum fluctuations. Indeed we find that the zero point motion forces the spins in a plane containing the magnetic field so that classical expectation is deceptive for our model. Our result is obtained by controlled expansion in the low field-long wavelength modulation limit. Received: 9 September 1997 / Revised: 15 October 1997 / Accepted: 17 November 1997     

Domain wall theory of elementary excitations in anisotropic antiferromagneticS=1 chains

We present a theoretical investigation of elementary excitations in anisotropic antiferromagneticS=1 chains using the concept of domain walls in string (hidden) order. Domain walls are classified by the internal spin projectionS _dw ^z . We calculate energies and string correlation functions of low lying excited states of the domain wall type in the Haldane phase and compare the results to those of numerical computations. The boundaries of the Haldane phase are determined from the instability of these excitations with respect to the ground state. The interaction between two domain walls is found to be proportional to the productS _dw ^z , S _dw ^z ₂, it is effectively repulsive for equal spin projections.