Electronic structures and ferroelectric properties of ABi2Ta2O9 (A=Ca, Sr, and Ba)

The electronic structures of ABi₂Ta₂O₉ (A=Ca, Sr, and Ba) were calculated by using first-principles under optimized structure. As the size of A-site cation decreases from that of Ba²⁺ to Ca²⁺, the band-gap between O 2p and Ta 5d increases from 2.0 to 2.9 eV, which responses to the stronger orbital hybridizations between Ta 5d and O 2p orbits favoring improvement of the ferroelectric property, decrease in leakage current, and increase in both spontaneous polarization and Curie temperature by the structural distortion. In contrast to CaBi₂Ta₂O₉ and SrBi₂Ta₂O₉, the hybridization between Ba 5p orbits and O 2p orbits in BaBi₂Ta₂O₉ has better structural stability.     

A New Modal Lindström Theorem

We prove new Lindstr?m theorems for the basic modal propositional language, and for some related fragments of first-order logic. We find difficulties with such results for modal languages without a finite-depth property, high-lighting the difference between abstract model theory for fragments and for extensions of first-order logic. In addition we discuss new connections with interpolation properties, and the modal invariance theorem. Mathematics Subject Classification (2000): Primary 03B45; Secondary 03C95     

A flower-like Ising model. Thermodynamic properties

We consider a flower-like Ising model, in which there are some additional bonds (in the “flower-core”) compared to a pure Ising chain. To understand the behaviour of this system and particularly the competition between ferromagnetic (usual) bonds along the chain and antiferromagnetic (additional) bonds across the chain, we study analytically and iteratively the main thermodynamic quantities. Very interesting is, in the zero-field and zero-temperature limit, the behaviour of the magnetization and the susceptibility, closely related to the ground state configurations and their degeneracies. This degeneracy explains the existence of non-zero entropy at zero temperature, in our results. Also, this model could be useful for the experimental investigations in studying the saturation curves for the enzyme kinetics or the melting curves for DNA-denaturation in some flower-like configurations.     

Conservation Laws of K(m, n) and mK(m, n) Equations

Based on the rank analysis method, algorithmization idea, and symbolic computation, in this paper we have presented a method to construct the conservation laws for nonlinear evolution equations. The polynomial conservation laws for K (n 2, n) equations and mnK(m, n) equations are found by using of this approach and some new results have been obtained.     

Microstructure related photoluminescence in a-CNx films deposited by reactive rf magnetron sputtering

We investigated the photoluminescence (PL) properties of carbon nitride films (CN_x) deposited by rf magnetron sputtering and compared them to their microstructure depending on the target self-bias. While many of the data are compatible with ‘a-C:H like’ PL properties the observed variation of the PL efficiency η with respect to the target bias cannot be easily explained by the standard models. It is suggested that the observed variation of η is rather dominated by a change in microstructure which depends on the bombardment intensity during growth than by the concentration of non-radiative centres.     

An investigation of finite-size scaling for systems with long-range interaction: The spherical model

A method is suggested for the derivation of finite-size corrections in the thermodynamic functions of systems with pair interaction potential decaying at large distancesr asr ^{–d –} , whered is the space dimensionality and>0. It allows for a unified treatment of short-range (=2) and long-range (<2) interaction. The asymptotic analysis is illustrated by the mean spherical model of general geometryL ^d–d× ^d subject to periodic boundary conditions. The Fisher-Privman equation of state is generalized to arbitrary real values ofd, 0d. It is shown that the-expansion may be used to study the breakdown of standard finite-size scaling at the borderline dimensionalities.     

On Super-KMS functionals and entire cyclic cohomology

We formulate the super-KMS condition suggested by Connes and Kastler, in the context of entire cyclic cohomology of quantum algebras. We show that the Chern character of Jaffe, Lesniewski, and Osterwalder — associated by Kastler to a super-KMS functional — satisfies the entire growth condition. Hence, a super-KMS functional defines a cocycle for the entire cyclic cohomology of quantum algebras.Supported in part by the National Science Foundation.     

The many limits of mixed means

The sequences introduced by Carlson (1971) are variants of the Gauss arithmetic geometric sequences (which have been elegantly discussed by D. A. Cox (1984, 1985)). Given (complex)a ₀,b ₀ we define

染料中间体间氨基-N-取代-苯磺酰胺的合成研究

以间氨基苯磺酸为原料，经乙酰化保护氨基，用氯磺酸／氯化亚砜将磺箕转变为磺酰氯，再分别与氨基G酸、吐氏酸、γ－酸、6－氨基－1，3－萘二磺酸、5，6－二氨基－1，3－萘二磺酸胺化缩合，水解去乙酰基，较高收率地合成了间氨基－N－取代－苯磺酰胺类染料中间体。产物结构经元素分析、红外、核磁和质谱确证。     

Asymmetric Baeyer—Villiger oxidation: control of stereoelectronic demand

The recent development of asymmetric Baeyer—Villiger oxidation of prochiral and racemic ketones is briefly summarized, focusing on the regio- and stereocontrol of the oxidation attained by regulating the stereoelectronic demand in the step of rearrangement of the Criegee intermediate.Based on the report presented at the International Conference Modern Trends in Organoelement and Polymer Chemistry dedicated to the 50th anniversary of the A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences (Moscow, May 30–June 4, 2004).Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1784–1794, September, 2004.