Quantum entanglement in a molecular magnet with itinerant electrons

We study the behaviors of pairwise and multipartite entanglement in a molecular magnet with itinerant electrons. In different ground states, the ratio of pairwise to multipartite entanglement is different. The monogamy of quantum entanglement is shown. Both charge correlation and spin correlation play important roles in the entanglement. The entanglements are generally suppressed by the on-site repulsion U and are mainly determined by spin correlation for large U and by charge correlation for small U. At finite temperature, in general, the thermal fluctuation suppresses the entanglements. However, in some cases, the multipartite entanglement can be enhanced by increasing temperature. Comparing the Heisenberg model with the Hubbard model, it is found that thermal entanglement in the itinerant electron system is more robust because charge correlation can survive at much higher temperature than spin correlation.     

Reentrant spin glass behaviour in Nd0.84K0.12MnO3

Polycrystalline Nd_0.84K_0.12MnO₃ was prepared in single phase form with Pbnm space group. The magnetic properties are studied from magnetization, linear and non-linear susceptibility, and thermoremanent magnetization measurements. The sample exhibits paramagnetic to ferromagnetic transition followed by low temperature spin glass like transition. From frequency variation of ac susceptibility measurements, the spin glass transition temperature is found to be 97.6±0.1 K with critical exponents zυ=1.13±0.06. The critical exponent γ corresponding to spin glass transition has been determined from the third harmonic susceptibility analysis and it is found to be 3.09±0.05. The effective number of spins blocked under frustration and their correlation length are determined from the analysis of thermoremanent magnetization.     

Schwinger-boson mean-field theory of an anisotropic ferrimagnetic spin chain

By using the Schwinger-boson mean-field theory, the Heisenberg ferrimagnetic spin chain with the single-ion anisotropy D is explored. Based on the effect of the single-ion anisotropy D, we obtain four branches of the low-lying excitation and calculate the anisotropy dependence of spin reduction and the longitudinal correlation at zero temperature. We also discuss the free energy, magnetic susceptibility and specific heat at finite temperature with different anisotropy D.     

Quantum spin liquid in the FCC lattice

The properties of the spin system in the FCC lattice described by the Heisenberg model (s=1/2) with antiferromagnetic interactions between the nearest neighbors were studied. It was shown within the framework of spin-wave theory that long-range antiferromagnetic order was absent because of frustration of exchange coupling and transverse quantum spin fluctuations. The system was in the quantum spin liquid state. A method for describing it within linear second-order theory with self-consistently calculated parameters was suggested. It was proved that the ground spin liquid state was singlet. The thermodynamic properties of the spin liquid in the whole temperature range and the character of spatial spin correlations, which had alternating signs and a finite correlation length, were determined. The theory was constructed based on the method of two-time Green temperature functions.     

Upper bounds on the transition temperature of classical n.n. ferromagnetic systems for general n and d

A differential equation is obtained for the spin-spin correlation function of a system of n-component classical spins interacting via a nearest neighbour ferromagnetic interaction. The differential equation makes it possible to obtain upper bounds on the correlation length and the transition temperature. It also makes it possible to relate the correlation length with the energy per spin and to obtain a necessary condition for the existence of the phase transition in terms of the energy per spin.     

Spin excitations and thermodynamics of the antiferromagnetic Heisenberg model on the layered honeycomb lattice

We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary temperatures, the thermodynamic quantities (two-spin correlation functions, internal energy, magnetic susceptibility, staggered magnetization, Néel temperature, correlation length) and the spin-excitation spectrum are calculated by solving a coupled system of self-consistency equations for the correlation functions. The temperature dependence of the magnetic (uniform static) susceptibility is ascribed to antiferromagnetic short-range order. The Néel temperature is calculated for arbitrary interlayer couplings. Our results are in a good agreement with numerical computations for finite clusters and with available experimental data on the β-Cu₂V₂O₂ compound.     

Liquid–gas and other unusual thermal phase transitions in some large-N magnets

Much insight into the low temperature properties of quantum magnets has been gained by generalizing them to symmetry groups of order N, and then studying the large-N limit. In this paper we consider an unusual aspect of their finite temperature behavior—their exhibiting a phase transition between a perfectly paramagnetic state and a paramagnetic state with a finite correlation length at N=∞. We analyze this phenomenon in some detail in the large “spin” (classical) limit of the SU(N) ferromagnet which is also a lattice discretization of the CP^N−1 model. We show that at N=∞ the order of the transition is governed by lattice connectivity. At finite values of N, the transition goes away in one or less dimension but survives on many lattices in two dimensions and higher, for sufficiently large N. The latter conclusion contradicts a recent conjecture of Sokal and Starinets [Nucl. Phys. B 601 (2001) 425], yet is consistent with the known finite temperature behavior of the SU(2) case. We also report closely related first order paramagnet–ferromagnet transitions at large N and shed light on a violation of Elitzur's theorem at infinite N via the large-q limit of the q state Potts model, reformulated as an Ising gauge theory.     

Electron spin resonance study of Fe doping effect in La0.67Ca0.33MnO3

Electron spin resonance (ESR) study was carried out on La_0.67Ca_0.33Mn_1−xFe_xO₃ (x=0.0, 0.04) samples. The temperature dependence of the ESR spectra indicates the presence of phase separation above and below T_C in x=0.0 and 0.04 sample, respectively. The increase of the g-value in the high-temperature region indicates the existence of local spin correlations even in the paramagnetic state. The activation energy obtained from both the temperature dependence of the ESR intensity and linewidth exhibits a smaller value in the Fe-doped sample. Our study suggests that the ferromagnetic spin correlations would be significantly weakened by a slight doping of Fe ions on Mn sites.     

Two-dimensional Heisenberg model with spin s=1/2 and antiferromagnetic exchange treated as a spin liquid

The spin system of the Heisenberg model (s=1/2) on a square lattice with antiferromagnetic (AFM) exchange between nearest neighbors (in which there is no long-range magnetic order at any T≠0) is treated as a spatially homogeneous isotropic spin liquid. The double-time temperature Green’s function method is used in the framework of a second-step decoupling scheme. It is shown that, as T → 0, the spin liquid goes over (without any change in symmetry) to a singlet state with energy (per bond) ?₀=?0.352 and the correlation length diverges as ξ ∝ T ^?1 exp(T ₀/T). The spatial spin correlators oscillate in sign with distance, as in the AFM state. The theory allows one to calculate the main characteristics of the system in all temperature ranges.     

Finite-size effects on the minimal conductivity in graphene with Rashba spin–orbit coupling

We study theoretically the minimal conductivity of monolayer graphene in the presence of Rashba spin–orbit coupling. The Rashba spin–orbit interaction causes the low-energy bands to undergo trigonal-warping deformation and for energies smaller than the Lifshitz energy, the Fermi circle breaks up into parts, forming four separate Dirac cones. We calculate the minimal conductivity for an ideal strip of length L and width W within the Landauer–Büttiker formalism in a continuum and in a tight binding model. We show that the minimal conductivity depends on the relative orientation of the sample and the probing electrodes due to the interference of states related to different Dirac cones. We also explore the effects of finite system size and find that the minimal conductivity can be lowered compared to that of an infinitely wide sample.     

Reprint of : Finite-size effects on the minimal conductivity in graphene with Rashba spin–orbit coupling

We study theoretically the minimal conductivity of monolayer graphene in the presence of Rashba spin–orbit coupling. The Rashba spin–orbit interaction causes the low-energy bands to undergo trigonal-warping deformation and for energies smaller than the Lifshitz energy, the Fermi circle breaks up into parts, forming four separate Dirac cones. We calculate the minimal conductivity for an ideal strip of length L and width W within the Landauer–Büttiker formalism in a continuum and in a tight binding model. We show that the minimal conductivity depends on the relative orientation of the sample and the probing electrodes due to the interference of states related to different Dirac cones. We also explore the effects of finite system size and find that the minimal conductivity can be lowered compared to that of an infinitely wide sample.     

μSR Investigation of magnetic phases in R1−xSrxCoO3 oxides (R=Pr, Nd)

We report results of our muon spin relaxation measurements in the series of polycrystalline compounds Pr_1−xSr_xCoO₃ (x=0.3, 0.4 and 0.5) and Nd_1−xSr_xCoO₃ (x=0.3 and 0.5). For the Pr-based samples our data clearly indicate the existence of two magnetic transitions, as also inferred from macroscopic measurements. While the high temperature transition is typical for cobaltites (∼200 K), the low temperature one is unusual. In our experiments it occurs below about 120 K and it manifests itself as a change in the slope of the temperature variation of the muon spin depolarization rate λ(T). For the Nd-based samples we found an increase of the muon spin depolarization rate below 45 K, temperature at which the sample is ferrimagnetic, when the Nd sublattice coupled antiparallel to the Co lattice. No phase separation could be evidenced in our samples by μSR experiments.     

Critical surface wave velocity near phase transitions

The temperature dependent Rayleigh wave velocity is discussed for crystals with a surface layer of depth equal to the correlation length, ξ, with special reference to a critical region near phase transitions. For finite qξ the Rayleigh wave velocity reflects the specific critical properties of the surface layer. Under such conditions the temperature dependence of Rayleigh waves cannot be predicted on the temperature dependence of constants. A phenomenological analysis is made for qξ ≦? 1. Experimental results on SrTiO₃ show bulk-dominated critical Rayleigh wave velocities due to the short correlation length in this material.     

Magnetic properties of FeSiB thin films displaying stripe domains

FeSiB amorphous thin films with thicknesses from 25 to 600 nm have been produced by rf sputtering on Si₃N₄ substrates. A spin reorientation transition has been observed on the as-prepared samples, as a function of thickness and temperature. Spin reorientation transition is shown to depend on the thermal treatments to which the as-prepared samples have been submitted. Static hysteresis loops obtained as a function of temperature, and magnetic force microscopy images taken at room temperature at the remanence and as a function of an applied magnetic field, have been employed to study the magnetic domain configuration of all the samples, and to see how it is affected by sample thickness, measurement temperature and annealing conditions.     

Superconductivity in the exactly solvable model of pseudogap state: The absence of self-averaging

The features of the superconducting state are studied in the simple exactly solvable model of the pseudogap state induced by fluctuations of the short-range “dielectric” order in the model of the Fermi surface with “hot” spots. The analysis is carried out for arbitrary short-range correlation lengths ξ_corr. It is shown that the superconducting gap averaged over such fluctuations differs from zero in a wide temperature range above the temperature T _c of the uniform superconducting transition in the entire sample, which is a consequence of non-self-averaging of the superconducting order parameter over the random fluctuation field. In the temperature range T>T _c, superconductivity apparently exists in individual regions (drops). These effects become weaker with decreasing correlation length ξ_corr; in particular, the range of existence for drops becomes narrower and vanishes as ξ_corr → 0, but for finite values of ξ_corr, complete self-averaging does not take place.     

Azurin-Solvent interaction: an ESR spin labeling investigation

We have investigated by means of electron spin resonance (ESR) spectroscopy using two spin labels, Iodoacetamido-proxyl and 3-Maleimido-proxyl, the dynamics of two different regious around the active site of azurin, a copper containing blue protein. The ESR measurements of spin labeled azurin have been carried out in the 110–300 K temperature range on wet (H₂O, D₂O and ethanol/water mixtures) and lyophilized samples. The behaviours of the outer hyperfine splitting separation, 2A′ _zz , of the ESR spectravs temperature of the lyophilized, and fully hydrated azurin in H₂O and D₂O suggest that the two spin labels are located in regions of the protein surface with different dynamics and polarity. Moreover, all differences in the 2A′ _zz values shown by the spin labeled azurin in normal and heavy water as well as the temperature behaviour disappear when azurin is in ethanol/water mixtures. The results are discussed in terms of a close correlation between the molecular dynamics of the protein fragments to which the two spin labels are bound and the properties of the solvent used.     

Spin-pair correlations of the classical Heisenberg ferromagnet above and below the critical point: Results of self-consistent Monte Carlo calculations

The spin-pair correlation functions of the classical Heisenberg ferromagnet with simple cubic lattice have been calculated in the paramagnetic and ferromagnetic temperature range using the self-consistent Monte Carlo method. The results agree with high-temperature series expansions aboveT _c , for low temperatures with spin-wave theory. By two different approaches the divergence of the ferromagnetic homogeneous susceptibility in zero field throughout the ferromagnetic temperature range could be verified. The functional dependence of the static susceptibilityχ _T (k) upon the inverse correlation lengthκ ₁ is discussed above and belowT _c and a Fourier transform for the explicit dependence of the spin correlations upon correlation length belowT _c is given. According to these results the scaling assumptionv=v′ for the exponents of the correlation length in the critical region is consistent with a divergent ferromagnetic susceptibility.     

X-Band ESR and51V NMR study of the Haldane system PbNi2−xMgxV2O8

The temperature and angular dependence of the X-band electron spin resonance (ESR) and⁵¹V nuclear magnetic resonance (NMR) spectra have been measured in a recently discovered Haldenegap system, PbNi_2-xMg_xV₂O₈ (0≤x≤0.24). The angular dependence of the ESR signal suggests that both the spin diffusion as well as the magnetic anisotropy determine the electronic spin correlation functions. However, in doped samples the magnetic anisotropy increasingly dominates the spin dynamics on cooling. The huge broadening of the⁵¹V NMR spectra in doped samples at low temperatures provides evidence for localized magnetic moments in the vicinity of the Mg impurities. Locally distorted structure around each Mg impurity may slightly modify the magnetic interactions and be potentially responsible for the antiferromagnetic ordering (belowT _N≈ 3.5K) in doped compositions.     

Anomalous magnetism and 209Bi nuclear spin relaxation in Bi4Ge3O12 crystals

The quadrupole ²⁰⁹Bi spin–spin and spin–lattice relaxation were studied within 4.2–300 K for pure and doped Bi₄Ge₃O₁₂ single crystals which exhibit, as was previously found, anomalous magnetic properties. The results revealed an unexpectedly strong influence of minor amounts of paramagnetic dopants (0.015–0.5 mol.%) on the relaxation processes. Various mechanisms (quadrupole, crystal electric field, electron spin fluctuations) govern the spin–lattice relaxation time T ₁ in pure and doped samples. Unlike T ₁, the spin–spin relaxation time T ₂ for pure and Nd-doped samples was weakly dependent on temperature within 4.2–300 K. Doping Bi₄Ge₃O₁₂ with paramagnetic atoms strongly elongated T ₂. The elongation, although not so strong, was also observed for pure and doped crystals under the influence of weak (～30 Oe) external magnetic fields. To confirm the conclusion about strong influence of crystal field effects on the temperature dependence of T ₁ in the temperature range 4.2–77 K, the magnetization vs. temperature and magnetic field was measured for Nd- and Gd-doped Bi₄Ge₃O₁₂ crystals using a SQUID magnetometer. The temperature behavior of magnetic susceptibility for the Nd-doped crystal was consistent with the presence of the crystal electric field effects. For the Gd-doped crystal, the Brillouin formula perfectly fitted the curve of magnetization vs. magnetic field, which pointed to the absence of the crystal electric field contribution into the spin–lattice relaxation process in this sample.     

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