Thermodynamic properties of the spin-1/2 antiferromagnetic ladder under magnetic field

Specific heat (C_V) measurements in the spin-1/2 Cu₂(C₂H₁₂N₂)₂Cl₄ system under a magnetic field up to H =8.25 T are reported and compared to the results of numerical calculations based on the 2-leg antiferromagnetic Heisenberg ladder. While the temperature dependences of both the susceptibility and the low-field specific heat are accurately reproduced by this model, deviations are observed above the critical field H_C1 at which the spin gap closes. In this Quantum High Field phase, the contribution of the low-energy quantum fluctuations are stronger than in the Heisenberg ladder model. We argue that this enhancement can be attributed to dynamical lattice fluctuations. Finally, we show that such a Heisenberg ladder, for H > H C1, is unstable, when coupled to the 3D lattice, against a lattice distortion. These results provide an alternative explanation for the observed low temperature ( K-0.8 K) phase (previously interpreted as a 3D magnetic ordering) as a new type of incommensurate gapped state. Received: 23 July 1998 / Accepted: 24 August 1998     

The new identity for the scattering matrix of exactly solvable models

We discovered a simple quadratic equation, which relates scattering phases of particles on Fermi surface. We consider one-dimensional Bose gas and XXZ Heisenberg quantum spin chain. Received: 4 December 1997 / Accepted: 17 March 1998     

Magnetization dynamics below of EuO and EuS

Between 4.2 K and the Curie temperatures of the cubic Heisenberg ferromagnets EuS and EuO, their homogeneous dynamic susceptibilities have been investigated by means of a broad-band reflectometer operating from 0.1 GHz to 40 GHz. For internal magnetic fields larger than the anisotropy fields H A ( T ) of both materials, their static susceptibilities exhibit a -divergence, which reveals quantitatively the dominance of dipolar-anisotropic spin-wave fluctuations. displays a Lorentzian shape the damping frequency of which obeys scaling in terms of .The scaling function agrees quantitatively with work by Frey and Schwabl [#!FS88!#] for dipolar Heisenberg ferromagnets at temperatures above T_c. Building upon their approach, the resonance frequency of the Lorentzian can be related to a memory effect in the damping determined by the large value of the relaxation rate of the longitudinal magnetization fluctuations . For EuS, this relation is substantiated directly by inelastic neutron scattering. All these features reveal the hitherto uncovered importance of the dipolar anisotropic fluctuations below T_c of ferromagnets. Received: 4 March 1998 / Accepted: 12 May 1998     

High spin state of Mn in an ideal monolayer on Ag(001)

We studied the magnetic properties of ultra-thin Mn films deposited on Ag (001) held at 80 K with soft X-ray absorption and magnetic circular dichroism. The observed shape and branching ratio of the Mn 2p absorption edge as a function of Mn coverage demonstrate that, up to , the Mn adopts a stable high spin state similar to the Mn atom Hund's rule ⁶ S _5/2 ground state. Above this coverage a rapid transition from localized high spin to itinerant low spin behavior of the Mn 3d electrons is evidenced. Magnetic circular dichroism shows no sign of long range ferromagnetic order in these films at 80 K. The data, first confirm the large atomic-like local magnetic moment, and second are in line with the in-plane antiferromagnetic order, reported recently (Phys. Rev. B 57, 1141 (1998)), for Mn in the nearly ideal on-top Mn monolayer formed by 0.9 ML deposited at 80 K. Received: 4 May 1998     

Dynamical properties of low-dimensional and spin-Peierls systems

Properties of low-dimensional spin-Peierls systems are described by using a one-dimensional S =1/2 antiferromagnetic Heisenberg chain linearly coupled to a single phonon mode of wave vector (whose contribution is expected to be dominant). By exact diagonalizations of small rings with up to 24 sites supplemented by a finite size scaling analysis, static and dynamical properties are investigated. Numerical evidences are given for a spontaneous discrete symmetry breaking towards a spin gapped phase with a frozen lattice dimerization. Special emphasis is put on the comparative study of the two inorganic spin-Peierls compounds CuGeO₃ and NaV₂O₅ and the model parameters are determined from a fit of the experimental spin gaps. We predict that the spin-phonon coupling is 2 or 3 times larger in NaV₂O₅ than in CuGeO₃. Inelastic neutron scattering spectra are calculated and similar results are found in the single phonon mode approximation and in the model including a static dimerization. In particular, the magnon S =1 branch is clearly separated from the continuum of triplet excitations by a finite gap. Received: 30 July 1997 / Revised: 16 September 1997 / Accepted: 10 October 1997     

Quadrupolar order in the Heisenberg ferromagnet with the single-ion cubic anisotropy

The ground state properties of S =2 ferromagnets with isotropic Heisenberg exchange (J) and single-ion cubic anisotropy (D) are studied. The perturbation theory for is used to find an effective Hamiltonian up to the fourth order for 1, 2 and 3 dimensions. It is shown that in opposition to the MFA prediction there is the quadrupolar long range order at T = 0 in the non-magnetic state of the system without a quadrupolar type of interaction. The effect is a consequence of the quantum nature of the model. Received: 19 February 1998 / Accepted: 17 March 1998     

Twin-correlations in atoms

We discuss the possibility of preparing an atomic sample of atoms with minimum fluctuations in the difference between populations of two levels. A first scheme involves absorption of twin beams of light, and it presents a variant of a recent proposal for atomic spin squeezing within an excited state manifold [Kuzmich et al., Phys. Rev. Lett. 79, 4782 (1997)]. A second scheme involves atoms with two stable states, and we suggest that by use of quantum non-demolition detection and feed-back optical pumping, we may ensure a perfect agreement between the number of atoms in these two states. Received: 14 May 1998 / Revised: 10 August 1998 / Accepted: 8 October 1998     

Zero temperature phase transitions in spin-ladders: Phase diagram and dynamical studies of Cu2(C5H12N2)2Cl4>

In a magnetic field, spin-ladders undergo two zero-temperature phase transitions at the critical fields H_c1 and H_c2. An experimental review of static and dynamical properties of spin-ladders close to these critical points is presented. The scaling functions, universal to all quantum critical points in one-dimension, are extracted from (a) the thermodynamic quantities (magnetization) and (b) the dynamical functions (NMR relaxation). A simple mapping of strongly coupled spin ladders in a magnetic field on the exactly solvable XXZ model enables to make detailed fits and gives an overall understanding of a broad class of quantum magnets in their gapless phase (between H_c1 and H_c2). In this phase, the low temperature divergence of the NMR relaxation demonstrates its Luttinger liquid nature as well as the novel quantum critical regime at higher temperature. The general behavior close these quantum critical points can be tied to known models of quantum magnetism. Received: 13 March 1998 / Received in final form and Accepted: 21 July 1998     

A DMRG study of the -symmetric Heisenberg chain

The spin one-half Heisenberg chain with U q [ SU (2)] symmetry is studied via density-matrix renormalization. Ground-state energy and q-symmetric correlation functions are calculated for the non-Hermitian case with integer r. This gives bulk and surface exponents for (para)fermionic correlations in the related Ising and Potts models. The case of real q corresponding to a diffusion problem is treated analytically. Received: 18 February 1998 / Accepted: 17 March 1998     

Flow equations and the Ruderman-Kittel-Kasuya-Yosida interaction

In the past different models for the magnetic salt vanadyl pyrophosphate (VO)₂P₂O₇ were discussed. Neither a spin ladder nor an alternating chain are capable to describe recently measured magnetic excitations. In this paper we propose a 2D model that fits better to experimental observations. Received: 29 May 1998 / Received in final form: 25 September 1998 / Accepted: 30 September 1998     

Spin-wave excitations in finite chain segments of the diluted one-dimensional Heisenberg antiferromagnet CsM{n_{1 - x}}M{g_x}B{r_3}

The inelastic neutron scattering technique was employed to study the magnetic excitation spectra in the diluted one-dimensional Heisenberg antiferromagnet CsMn_1-xMg_xBr₃ (x =0, 0.05, 0.10, 0.25, 0.50). The spectral response is interpreted in terms of spin-wave excitations in finite chain segments of Mn²⁺ ions, which are found to exist as long as the chain length exceeds twice the wavelength of the spin excitation. This limit determines the crossover into the mesoscopic regime. Received 31 December 1999     

Unified quantum mechanical picture for confined spinons in dimerized and frustrated spin chains

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 itself as a nonlinear potential , centered at chain ends () 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. Estimates for excitation energies and binding lengths are obtained. Received: 8 May 1998 / Revised and Accepted: 12 August 1998     

Quantum XY spin glass model with planar Dzyaloshinskii-Moriya interactions in longitudinal field

In the replica symmetric approximation and static limit in Matsubara “imaginary time”, the quantum XY spin glass model with planar Dzyaloshinskii-Moriya interaction in longitudinal field is investigated. Several thermodynamic quantities are calculated numerically as well as spin self-interaction and spin glass order parameter for spin S=1/2. It is shown that the entropy is not independent of the field. A crossover behavior of the specific heat depending on temperature is found. There is a deviation from the parabolic approximation, C/T=A+Bh ² . Received 11 March 1998     

Magnetic properties of the low dimensional spin system (VO)PO:ESR and susceptibility

Experimental results on magnetic resonance (ESR) and magnetic susceptibility are given for single crystalline (VO)₂P₂O₇. The crystal growth procedure is briefly discussed. The susceptibility is interpreted numerically using a model with alternating spin chains. We determine J =51 K and . Furthermore we find a spin gap of meV from our ESR measurements. Using elastic constants no indication of a phase transition forcing the dimerization is seen below 300 K. Received: 22 December 1997 / Accepted: 17 March 1998     

Magnetization of Gd cluster: Anomalous thermal behavior

Theoretical studies of the temperature (T) dependence of magnetization of Gd₁₃ clusters have been carried out within a classical Heisenberg model using Monte-Carlo simulations. It is shown that for a broad range of values of , defined as the ratio between competing ferro and anti-ferro magnetic couplings, the cluster magnetization increases with T in the low T region, as seen in experiment. The clusters are also shown to exhibit a wide distribution of moments at a given T, which broadens significantly with increasing T. It is suggested that this may affect the observed magnetic behavior of magnetic clusters in Stern-Gerlach experiments. Received 29 May 1999 and Received in final form 5 September 1999     

Derivation of effective spin models from a three band model for CuO-planes

The derivation of effective spin models describing the low energy magnetic properties of undoped CuO₂-planes is reinvestigated. Our study aims at a quantitative determination of the parameters of effective spin models from those of a multi-band model and is supposed to be relevant to the analysis of recent improved experimental data on the spin wave spectrum of La₂CuO₄. Starting from a conventional three-band model we determine the exchange couplings for the nearest and next-nearest neighbor Heisenberg exchange as well as for 4- and 6-spin exchange terms via a direct perturbation expansion up to 12th (14th for the 4-spin term) order with respect to the copper-oxygen hopping t_pd. Our results demonstrate that this perturbation expansion does not converge for hopping parameters of the relevant size. Well behaved extrapolations of the couplings are derived, however, in terms of Padé approximants. In order to check the significance of these results from the direct perturbation expansion we employ the Zhang-Rice reformulation of the three band model in terms of hybridizing oxygen Wannier orbitals centered at copper ion sites. In the Wannier notation the perturbation expansion is reorganized by an exact treatment of the strong site-diagonal hybridization. The perturbation expansion with respect to the weak intersite hybridizations is calculated up to 4th order for the Heisenberg coupling and up to 6th order for the 4-spin coupling. It shows excellent convergence and the results are in agreement with the Padé approximants of the direct expansion. The relevance of the 4-spin coupling as the leading correction to the nearest neighbor Heisenberg model is emphasized. Received 8 June 2001 / Received in final form 28 May 2002 Published online 19 July 2002     

Crossing of specific heat curves in some correlated fermion systems

Specific heat versus temperature curves for various pressures, or magnetic fields (or some other external control parameter) have been seen to cross at a point or in a very small range of temperatures in many correlated fermion systems. We show that this behavior is related to the possibility of existence of a quantum critical point. Vicinity to a quantum critical point in these systems leads to a crossover from quantum to classical fluctuation regime at some temperature . The temperature at which the curves cross turns out to be near this crossover temperature. We have discussed the case of the normal phase of liquid Helium three and the heavy fermion systems CeAl₃ and UBe₁₃ in detail within the spin fluctuation theory, a theory which inherently contains a low energy scale which can be identified with . When the crossover scale is a homogeneous function of these control parameters there is always crossing at a point. We also mention other theories exhibiting a low energy scale near a quantum critical point and discuss this phenomenon in those theories. Received 25 June 1999     

Predictions of geometrical structures and ionization potentials for small barium clusters Ba

The geometrical structure of ground state Ba_n clusters (n =2-14) has been predicted from various types of calculations including two ab initio approaches used for the smaller sizes namely HF+MP2( n =2-6), DFT (LSDA)( n =2-6, 9) and one model approach HF+pairwise dispersion used for all sizes investigated here. The lowest energy configurations as well as some isomers have been investigated. The sizes n =4, 7 and 13 are predicted to be the relatively more stable ones and they correspond to the three compact structures: the tetrahedron, the pentagonal bipyramid and the icosahedron. The growth behavior from Ba₇ to Ba₁₃ appears to be characterized by the addition of atoms around a pentagonal bipyramid leading to the icosahedral structure of Ba₁₃ which is consistent with the observed size-distribution of barium clusters. Values for vertical ionization potentials calculated for n =2-5 at the CI level are seen to be in quite good agreement with recent measures. Received: 14 May 1997 / Received in final form: 2 February 1998 / Accepted: 27 February 1998     

Quasiclassical Hamiltonians for large-spin systems

We extend and apply a previously developed method for a semiclassical treatment of a system with large spin S. A multisite Heisenberg Hamiltonian is transformed into an effective classical Hamilton function which can be treated by standard methods for classical systems. Quantum effects enter in form of multispin interactions in the Hamilton function. The latter is written in the form of an expansion in powers of J/(TS), where J is the coupling constant. Main ingredients of our method are spin coherent states and cumulants. Rules and diagrams are derived for computing cumulants of groups of operators entering the Hamiltonian. The theory is illustrated by calculating the quantum corrections to the free energy of a Heisenberg chain which were previously computed by a Wigner-Kirkwood expansion. Received 5 May 1999 and received in final form 24 September 1999