Field-dependent thermal transport in the haldane chain compound NENP

We present a study of the magnetic field-dependent thermal transport in the spin S=1 chain material Ni(C(2)H(8)N(2))(2)NO(2)(ClO(4)) (NENP). The measured thermal conductivity is found to be very sensitive to the field-induced changes in the spin excitation spectrum. The magnetic contribution to the total heat conductivity is analyzed in terms of a quasiparticle model, and we obtain a temperature and momentum independent mean free path. This implies that the motion of quasiparticles is effectively three dimensional despite the tiny interchain coupling.     

混合自旋反铁磁材料Y2BaNiO5的磁学和热力学性质

在格林函数的理论框架下,采用一维自旋为1的各向异性Heisenberg模型来讨论Y2BaNiO5材料的磁学和热力学性质.得到了它的自旋关联函数、低激发谱、基态能(Eg)、比热(C)和静态磁化率(χ)在不同交换各向异性因子下的性质,所得结果与实验和数值模拟结果完全一致.     

Spin frustration in Y(Sc)Mn2

The relaxation rate of muon polarization of Y_0.97Sc_0.03Mn₂ with a magnetic lattice composed of corner‐shared tetrahedrons shows a broad peak around 2.5 K indicating a random spin freezing at low temperatures. The substitution by nonmagnetic Al atoms for 10% Mn atoms raises the spin freezing temperature to 45 K. The present work shows clearly that due to the strong geometrical frustration, the ground state of the system is singlet tetrahedrons mixed with frozen paramagnetic tetrahedrons. This revised version was published online in July 2006 with corrections to the Cover Date.     

Modeling Spectroscopic Properties of Ni2+ Ions in the Haldane Gap System Y2BaNiO5

Modeling of spin Hamiltonian parameters enables correlation of crystallographic, spectroscopic, and magnetic data for transition ions in crystals. In this paper, based on the crystallographic data and utilizing the point-charge model and superposition model, the crystal field parameters (CFPs) are estimated for Ni²⁺(3d ⁸) ions in the Haldane gap system Y₂BaNiO₅. The CFPs serve as input for the perturbation theory expressions and the crystal field analysis package for microscopic spin Hamiltonian modeling of the zero-field splitting parameters (ZFSPs) D and E. Results of an extensive literature search of the pertinent crystallographic data, experimental ZFSPs, and model parameters are briefly outlined. The modeling aims at verification of the experimental ‘single ion anisotropy’ parameters and explanation of the controversy concerning the maximal rhombic distortion |E/D| ≈1/3 reported for Ni²⁺ ions in Y₂BaNiO₅. The preliminary results call for reanalysis of some magnetic studies of the Haldane gap systems.     

AC conductivity and dielectric studies of (C5H10N)2BiCl5 compound

The bis (3-dimethylammonium-1-propyne) pentachlorobismuthate (III) exhibits a structural phase transition at T₁?=?(337?±?2?K), which has been characterized by differential scanning calorimetric, X-ray powder analysis, AC conductivity and dielectric measurements. The dielectric dispersion yielded the real and imaginary parts of impedance of (C₅H₁₀N)₂BiCl₅ in the form of a semicircle in a complex plane. Besides, a Cole?CCole plot was observed at frequencies ranging from 209?Hz to 5?MHz, whose result was found to fit the theoretical resistor?Ccapacitor parallel circuit model. The temperature dependence of the electrical conductivity in the different phases follows the Arrhenius law. The frequency-dependent conductivity data were fitted in the modified power law: $ \sigma = {\sigma_{dc}} + {B_1}(T){\omega^{{s_1}}} + {B_2}(T){\omega^{{s_2}}} $ . The imaginary part of the permittivity constant is analyzed with the Cole?CCole formalism. With regard to the modulus plot, it can be characterized by full width at half height or in terms of a non-exponential decay function $ \phi (t) = \exp {\left( {\frac{{ - t}}{{{\tau_\sigma }}}} \right)^\beta } $ . Besides, the activation energy responsible for relaxation has been evaluated and found to be close the DC conductivity.     

Neutron diffraction study of the magnetic ordering in the series R 2 BaNiO 5 (R = Rare Earth)

A neutron diffraction study, as a function of temperature, of the title compounds is presented. The whole family (space group Immm, a ≈ 3.8?, b ≈ 5.8?, c ≈ 11.3?) is structurally characterised by the presence of flattened NiO₆ octahedra that form chains along the a-axis, giving rise to a strong Ni-O-Ni antiferromagnetic interaction. Whereas for Y-compound only strong 1D correlations exist above 1.5 K, presenting the Haldane gap characteristic of 1D AF chain with integer spin, 3D AF ordering is established simultaneously for both R and Ni sublattices at temperatures depending on the rare earth size and magnetic moment. The magnetic structures of R₂BaNiO₅ ( R = Nd, Tb, Dy, Ho, Er and Tm) have been determined and refined as a function of temperature. The whole family orders with a magnetic structure characterised by the temperature-independent propagation vector = (1/2, 0, 1/2). At 1.5 K the directions of the magnetic moments differ because of the different anisotropy of the rare earth ions. Except for Tm and Yb (which does not order above 1.5 K), the magnetic moment of the R³⁺ cations are close to the free-ion value. The magnetic moment of Ni²⁺ is around 1.4 , the strong reduction with respect to the free-ion value is probably due to a combination of low-dimensional quantum effects and covalency. The thermal evolution of the magnetic structures from T _N down to 1.5 K is studied in detail. A smooth re-orientation, governed by the magnetic anisotropy of R³⁺, seems to occur below and very close to T _N in some of these compounds: the Ni moment rotates from nearly parallel to the a-axis toward the c-axis following the R moments. We demonstrate that for setting up the 3D magnetic ordering the R-R exchange interactions cannot be neglected. Received 19 July 2001     

A theoretical study of the long-range-disorder mixed-spin antiferromagnet L2BaNiO5

In this paper, we introduce a quasi-one-dimensional S = 1 antiferromagnet Heisenberg model, and some physical properties of antiferromagnet L2BaNiO5 without frame of two-time Green's function theory. In a high temperature region, we calculate the correlation functions, and obtain excitation spectrum along Ni chains and the Haldane gap in this spectrum versus temperature. We find that the short-range correlation still exists at high temperature, which leads to the existence of Haldane gap in excitation spectrum. The increment of excitation energy in the spectrum along the Ni chain is found to be induced by the AF interaction between spins of rare-earth and Ni ions. Additionally, we also find that Haldane gap goes up with temperature increasing.     

Magnetic properties of Y(Fe0.95Mn0.05)2 compound

Mössbauer spectroscopy, magnetization and X-ray diffrraction measurements of the ternary compound Y(Fe_0.95Mn_0.05)₂ prepared by melting were performed in order to investigate the effect of the substitution of Mn on the magnetic properties of YFe₂. The experimental results show change of the lattice parameter. The magnetization and the Curie temperature decrease with substitution of Fe by Mn.     

Spin gap in the zigzag spin-1/2 chain cuprate Sr(0.9)Ca(0.1)CuO(2)

We report a comparative study of (63)Cu nuclear magnetic resonance spin lattice relaxation rates T(1)(-1) on undoped SrCuO(2) and Ca-doped Sr(0.9)Ca(0.1)CuO(2) spin chain compounds. A temperature independent T(1)(-1) is observed for SrCuO(2) as expected for an S=1/2 Heisenberg chain. Surprisingly, we observe an exponential decrease of T(1)(-1) for T<90 K in the Ca-doped sample evidencing the opening of a spin gap. The data analysis within the J(1)-J(2) Heisenberg model employing density-matrix renormalization group calculations suggests an impurity driven small alternation of the J(2)-exchange coupling as a possible cause of the spin gap.     

Anomalous thermal conductivity of single crystal Cu2Te2O5Cl2

A strong increase of the thermal conductivity is observed at the phase transition (T _c=18.2 K) in Cu₂Te₂O₅Cl₂ single crystal. This behavior is compared with that of the spin-Peierls system NaV₂O₅, where a similar experimental observation has been made, and the conventional spin-Peierls system CuGeO₃, where a modest kink in the thermal conductivity curve has been observed. The strong increase of the thermal conductivity atT _c in Cu₂Te₂O₅Cl₂ could be partially attributed to the opening of the energy gap in the magnetic excitation spectrum evident from the magnetic susceptibility measurements. However, the main reason for the anomaly of the thermal conductivity could be explained by a strong spin-lattice coupling in this system, which what is in agreement with the preliminary X-band electron spin resonance measurement.     

The electronic structure of the doped one-dimensional transition metal oxide Y 2 - x Ca x BaNiO 5 studied using X-ray absorption

A strong anisotropic distribution of the holes in Ni 3 d and O 2 p orbitals is observed in the polarization dependent O 1 s and Ni 2 p _3/2 X-ray absorption spectroscopy of the linear-chain nickelate Y_2-xCa_xBaNiO₅ (x = 0, 0.05, 0.1, 0.2), which demonstrates the one-dimensional nature of the electronic state in these compounds. The holes introduced by Ca-doping occupy both O 2 p and Ni 3 d orbitals along the NiO₅ chains. By comparing the experimental Ni 2 p _3/2 absorption spectra of Y_2-xCa_xBaNiO₅ to those from charge transfer multiplet calculations we can derive the orbital character of the additional holes to be of ∼60% O2 p and ∼40% Ni 3 d. Received 7 January 2002     

Transferred hyperfine field in the pseudo-binary compound Y(Fe,Mn)2

The NMR of⁸⁹Y in Y(Fe_1−xMn_x)₂ has been observed. Two kinds of Mn moments were estimated by analyzing the⁸⁹Y hyperfine field: (1) the low spin state with about 0.6 μ_B in antiparallel to Fe moment and (2) the high spin state with about 2.8 μ_B in parallel to Fe moment. The magnetizations estimated from NMR results are in good agreement with those of magnetization measurements.     

Polarisation conductivity of the O2,Pt/Zr(Y)O2 and H2-H2O, Pt/Zr(Y)O2 electrodes

Pt electrodes with defined contact geometries were studied by using impedance spectroscopy. The specific polarisation conductivity per unit length of the three-phase boundary was determined. It is found to be 1 × 10⁻⁴ S·cm⁻¹ at 977 °C in an atmosphere of “pure” hydrogen with an oxygen partial pressure of 10⁻²⁰ atm at 1000 °C. Investigations carried out in an atmosphere of pure oxygen revealed a pronounced dependence of the polarisation conductivity on the electrode history. The polarisation conductivity was found to be in a range of 2 × 10⁻⁴ to 6.5 × 10⁻⁴ S·cm⁻¹ at a temperature of 977 °C. It was possible to estimate the area of the electrolyte surface which takes part in the electrode reaction. The real exchange current density was determined.     

Spinon thermal conductivity of-(CuO2)-spin chains in LiCuVO4

The thermal conductivity κ ^b_tot of the quasi-one-dimensional (S=1/2) Heisenberg antiferromagnet LiCuVO₄ with uniform (-CuO₆-) spin chains aligned parallel to the b axis in a crystal with an orthorhombically distorted inverse spinel structure is measured in the temperature range 10–300 K. The spinon component κ ^chain_m of the thermal conductivity is separated out.