准一维有机铁磁体的磁性机理研究

对准一维有机铁磁体ｐｏｌｙ－ＢＩＰＯ体系的磁性机理进行了研究。详细考虑了该体系中的电子跳跃、电子关联及派尔斯不稳定性，自洽地计算了其能带结构和自旋密度分布，并数值地研究了各因素对系统特性的影响。结果发现该体系基态为稳定的铁磁态． 关键词：     

轴流式射频PCVD沉积质量分布的动力学分析

在用静电探针诊断了轴流式射频等离子体激活化学汽相沉积(PCVD)反应器中等离子体电子温度、电子密度轴向分布的基础上,提出与主要工艺参数相联系的二元流体动力学模型。以等离子体参量的轴向分布和变化规律为中介量,从动力学的角度分析主要工艺参数影响PCVD沉积质量分布的规律。将模型用于沉积SnO₂薄膜的过程,理论计算与实验结果符合较好。 关键词：     

First-principles investigations on the mechanical,thermal,electronic,and optical properties of the defect perovskites Cs_2SnX_6(X= Cl,Br, I)

The mechanical properties, thermal properties, electronic structures, and optical properties of the defect perovskites Cs_2SnX_6(X = Cl, Br, I) were investigated by first-principles calculation using PBE and HSE06 hybrid functional. The optic band gaps based on HSE06 are 3.83 eV for Cs_2SnCl_6, 2.36 eV for Cs_2SnBr_6, and 0.92 eV for Cs_2SnI_6, which agree with the experimental results. The Cs_2SnCl_6, Cs_2SnBr_6, and Cs_2SnI_6 are mechanically stable and they are all anisotropic and ductile in nature. Electronic structures calculations show that the conduction band consists mainly of hybridization between the halogen p orbitals and Sn 5s orbitals, whereas the valence band is composed of the halogen p orbitals. Optic properties indicate that these three compounds exhibit good optical absorption in the ultraviolet region, and the absorption spectra red shift with the increase in the number of halogen atoms. The defect perovskites are good candidates for probing the lead-free and high power conversion efficiency of solar cells.     

Block Entanglement in the Single-Hole Hubbard Model

We investigate the distribution of the entanglement of the one-dimensional single-hole Hubbard model （HM） and study the relationship between the entanglement and quantum phase transition in the model. The von Neumann entropy of a block with neighbouring spins L for a single-hole HM is calculated using the densitymatrix renormalization group. The distributions of the entanglement entropy in the ground state, as a function of block length, show a dramatic effect, i.e. effectively decoupling with the centres, no matter how the Coulomb interaction u 〉0 or u 〈0. Contrarily, for the Coulomb interaction u = 0 or close to zero, the entanglement entropy in the single-hole model reaches a saturation value for a certain block size. For a fixed size L = 40, the ground state entanglement entropy measure, as a function of u1 shows a peak corresponding to the critical quantum phase transition.     

由单负材料组成的一维对称型光子晶体中的隧穿模

由电单负材料A和磁单负材料B构成了一维对称型光子晶体,数值计算表明其带隙中出现了一隧穿模. 材料层数增加,隧穿模宽度急剧变窄,而其位置不变.隧穿模的位置和宽度对入射角的变化都不太敏感. 材料的几何厚度减小,隧穿模的位置蓝移,而其宽度不变. μ_A, ε_B增加,隧穿模的位置红移,宽度减小. 利用隧穿模的以上特性可以实现对电磁波传播的动态调控.     

Kadomtsev-Petviashvili方程的精确解

齐次平衡法是把非线性偏微分方程转换成带约束条件的线性偏微分方程的一种很好的方法 .本文在齐次平衡法的基础上具体讨论了KP方程的精确解 ,包括孤波解 ,一般的行波解 ,有理函数解和一种新类型的解 .     

柠檬酸根对纳米Fe3O4颗粒的生长及性能的影响

现代诊断学的发展使得超小超顺磁性的Fe₃O₄粒子在医学领域具有重要应用价值。实验中利用某些羧酸盐对铁氧化物晶粒成长的抑制作用，在共沉淀法中引入柠檬酸根，制备出平均粒径小于5 nm的Fe₃O₄纳米分散体系。研究了不同柠檬酸根浓度对生成粒子的大小、结晶和表面吸附情况的影响。对Fe₃O₄颗粒在不同条件下的磁性与胶体稳定性进行了讨论。     

邻苯二甲酸单乙酯铜配合物的晶体结构与强反铁磁性

A hydrated tetra-carboxylato-bridged dinuclear copper(Ⅱ) complex [Cu₂(mEP)₂(H₂O)₂]₂ (1) (mEp is mono -ethyl phthalate or 1,2-benzenedicarboxylate monoethyl ester) has been prepared and characterized by X-ray diffraction single crystal structure analysis and magnetic measurements. This dinuclear complex adopts dimeric paddle-wheel cage structure and the coordination model around each copper(Ⅱ) atom is square-pyramidal with four oxygen atoms of the carboxylate groups from four different mono-ethyl phthalate ligands and one oxygen atom of water as apical position. The magnetic data for 1 exhibited strong intramolecular antiferromagnetic interaction between the two paramagnetic metal ions with 2J=-315.18 cm^-1. Comparing with other related complexes in structure and magnetic propertity, the main factor which determines the strong antiferromagnetic interaction in the dimeric copper(Ⅱ) carboxylates is the electronic structure of the bridging O-C-O moiety. CCDC: 624561.     

一种基于光子晶体结构的坦克涂层设计

为减少坦克在实战中的红外辐射, 分析了坦克炮慢射后的辐射特征, 针对其炮管所辐射的特征波长在8-12 μm的电磁波,选用常见的SiO₂和Si为介质, 并在考虑各自色散关系的基础上, 设计了具有光子晶体结构的防辐射涂层. 数值计算表明: 当两介质各取4层, 其几何厚度分别取1330和825 nm时,在8-12 μm 的范围内有一个严格的带隙. 当两介质的几何厚度增加, 带隙红移, 宽度增加, 反之亦然. 只要两介质的几何厚度变化不同时超过10%, 原带隙总是存在. 当介质层数取7-8时, 涂层在上述波长范围内的严格带隙已形成, 介质层数再增加, 带隙没有实质性的变化. 带隙结构对入射角的变化并不敏感.     

MAGNETIC AND ELECTRICAL PROPERTIES OF TWO POLYANILINE FAMILIES:PANI-H3PO4 and PANI-C4H6O6

We report a comparative study between two kinds of polyaniline, PANI-H₃PO₄ and PANI-C₄H₆O₆. We have measured the temperature dependence of the dc-conductivity σ_dc(T) and magnetic susceptibility χ_T(T). The structure of polyaniline was characterized by F ourier transform infrared technique, electron-spin-resonance and X-ray diffraction. Polyanil ine synthesized with phosphoric and tartaric acids leads to high magnetic suscep tibility χ_T(at T=295 K)≈10^-4 emu/mol.2rings. The dc-conductivity of both kinds of PANI shows a semiconductor behavior and follows the quasi one-dimensional variable-range-hopping model. A compa rison of the magnetic susceptibility shows greater electron localization in PANI-C₄H₆O₆, which is in agreement with the lower conductivity at room temper ature for PANI-C₄H₆O₆.