Numerical study of charge ordering in NaxCoO2

A simple microscopic model of charge ordering in the Na_xCoO₂ system is presented. The model takes into account the interplane interactions between the ordered Na ions and d electrons from the CoO₂ layers as well as the nearest-neighbor intraplane Coulomb interactions between d electrons. It is shown that a driving force of charge ordering in the CoO₂ layers is the interplane interaction that alone is able to describe various types of inhomogeneous charge ordering (e.g., the striped phases) as well as to predict correctly the conducting properties of the system.     

An expansion in the exponent for compound binomial approximations

The purpose of this paper is two-fold. First, we introduce a new asymptotic expansion in the exponent for the compound binomial approximation of the generalized Poisson binomial distribution. The dependence of its accuracy on the symmetry and shifting of distributions is investigated. Second, for compound binomial and compound Poisson distributions, we present new smoothness estimates, some of which contain explicit constants. Finally, the ideas used in this paper enable us to prove new precise bounds in the compound Poisson approximation. Published in Lietuvos Matematikos Rinkinys, Vol. 46, No. 1, pp. 67–110, January–March, 2006.     

混杂配体金属簇合物的分子振动光谱与结构

由于原子簇化合物在催化，生物活性，功能材料等方面所呈现的重要性，使其成为无机和物理化学最重要的研究领域之一。文章中和谱学方法对一些具有混配体的过渡金属簇合物的结构及其两者之间的关系进行.     

Features of the Motion of a Gas-Liquid Medium in a Compound Shell (Sphere and Truncated Cone) Subject to Vibration

The results from an experimental study into the dynamic behavior of a gas-liquid medium and solid particles in a compound shell (sphere-truncated cone) are reported on. The following processes are studied: formation of gas bubbles and their clusters, strong macroflows, and intensive chaotic motion of the medium in the truncated cone as a nonlinear vibrating liquid-gas system__________Translated from Prikladnaya Mekhanika, Vol. 41, No. 1, pp. 112–118, January 2005.     

Theorems of Large Deviations in the Approximation by the Compound Poisson Distribution

The paper is devoted to the research of large deviation probabilities in the approximation by compound Poisson law.     

Structurally isomeric two pyridino macrocycles: complexation and structures

Pyridine-based, structurally isomeric two macrocyclic compounds displayed a remarkably different complexation nature. The cage-type compound has an ideal structure for spherical cations, especially for the NH₄⁺ ion, but the reaction with some transition metals and Ln³⁺ produced its protonated species. On the other hand, its isomer formed complexes with alkali metals and lanthanides (1:1) and also with transition metals. Some structures of the complexes were clarified by crystallographic analyses.     

A Mossbauer study of the magnetic coupling in iron phosphorous trisulfides

The polycrystalline sample of layered compound FePS_3 has been investigated by using M?ssbauer spectroscopy (12K to 300K), magnetic susceptibility measurements, x-ray diffraction and FTIR spectroscopy. The antiferromagnetic order exists below T_N=120.5±1K. The M?ssbauer spectra below T_N indicate that the magnetization axis is perpendicular to the layer of FePS_3, and the divalent iron cations are in their high spin configurations. By fitting the hyperfine field parameters near the Néel temperature, we obtain information on the nature of magnetic interactions in the material. The results show that the magnetic coupling can be treated by the two-dimensional Ising model, and it can be interpreted on the basis of a crystal-field effect.     

Synthesis of aromatic poly(thioether ketone)

Aromatic poly(thioether ketone)s were prepared by the direct polycondensation of aromatic dicarboxylic acids with aryl compounds containing ether or sulfide structures using phosphorus pentoxide/methanesulfonic acid (PPMA) as a condensing agent and solvent. Polycondensation proceeded smoothly and produced aromatic poly(thioether ketone)s with inherent viscosities up to 0.73 dL/g. The synthesis of substituted aryl ketones by the reaction of substituted benzoic acids with aryl compounds in PMMA was studied in detail to demonstrate the feasibility of the reaction for polymer formation. The thermogravimetry of the aromatic poly(thioether ketone)s showed a 10% weight loss in air and nitrogen at around 450 and 460°C, respectively. © 1992 John Wiley & Sons, Inc.     

用二维复式晶格有限集团模型计算聚乙炔的电子结构

以二维复式晶格作为有限系统的集团模型,在紧束缚近似下,计算了π电子在最近邻及次近邻跳跃集团的态密度.讨论了不同结构参数对态密度及带宽的影响.     

Monte Carlo simulations on magnetic behavior of a spin-chain system in triangular lattice doped with antiferromagnetic bonds

A three-dimensional Ising-like model doped with anti-ferromagnetic (AFM) bonds is proposed to investigate the magnetic properties of a doped triangular spin-chain system by using a Monte-Carlo simulation. The simulated results indicate that a steplike magnetization behavior is very sensitive to the concentration of AFM bonds. A low concentration of AFM bonds can suppress the stepwise behavior considerably, in accordance with doping experiments on Ca₃Co₂O₆. The analysis of spin snapshots demonstrates that the AFM bond doping not only breaks the ferromagnetic ordered linear spin chains along the hexagonal c-axis but also has a great influence upon the spin configuration in the ab-plane.