Cluster calculations of the hyperfine properties of copper compounds

Spin-polarized ab-initio cluster procedures are used to investigate the electronic structure of CuO₂-planes in the La₂CuO₄ and YBa₂Cu₃O₇ compounds. In particular, electric field gradients (EFGs) and magnetic hyperfine interaction parameters for the Cu sites were calculated with various theoretical methods. Calculations with density functional theory reproduce the experimentally determined EFGs fairly well while those at the Hartree-Fock level generally yield values which are too large by about 40%. The anisotropic magnetic hyperfine coupling can also be calculated with reasonable accuracy. This revised version was published online in August 2006 with corrections to the Cover Date.     

Growth,structure, and superconducting properties of Bi2Sr2Ca2Cu3O10 and (Bi,Pb)2Sr2Ca2Cu3O10‐y crystals

Large and high‐quality single crystals of both Pb‐free and Pb‐doped high temperature superconducting compounds (Bi_1‐xPb_x)₂Sr₂Ca₂Cu₃O_10‐y (x = 0 and 0.3) were grown by means of a newly developed “Vapour‐Assisted Travelling Floating Zone” technique (VA‐TSFZ). This modified zone‐melting technique was realised in an image furnace and allowed for the first time to grow Pb‐doped crystals by compensating for the Pb losses occurring at high temperature. Crystals up to 3×2×0.1 mm³ were successfully grown. Post‐annealing under high pressure of O₂ (up to 10 MPa at T = 500°C) was undertaken to enhance T_c and improve the homogeneity of the crystals. Structural characterisation was performed by single‐crystal X‐ray diffraction (XRD) and the structure of the 3‐layer Bi‐based superconducting compound was refined for the first time. Structure refinement showed an incommensurate superlattice in the Pb‐free crystals. The space group is orthorhombic, A2aa, with cell parameters a = 27.105(4) Å, b = 5.4133(6) Å and c = 37.009(7) Å. Superconducting studies were carried out by A.C. and D.C. magnetic measurements. Very sharp superconducting transitions were obtained in both kinds of crystals (ΔT_c ≤ 1 K). In optimally doped Pb‐free crystals, critical temperatures up to 111 K were measured. Magnetic critical current densities of 2�10⁵ A/cm² were measured at T = 30 K and μ₀H = 0 T. A weak second peak in the magnetisation loops was observed in the temperature range 40‐50 K above which the vortex lattice becomes entangled. We have measured a portion of the irreversibility line (0.1‐5 Tesla) and fitted the expression for the melting of a vortex glass in a 2D fluctuation regime to the experimental data. Measurements of the lower critical field allowed to obtain the dependence of the penetration depth on temperature: the linear dependence of λ(T) for T < 30 K is consistent with d‐wave superconductivity in Bi‐2223. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

A Simple Derivation of Josephson's Formulae in Superconductivity

A simple and general derivation of Josephson's formulae for the tunneling currents is presented on the basis of Sewell's general formulation of superconductivity in relation to off-diagonal long-range order (ODLRO).     

TEM Investigation of Dislocations in RNi2B2C (R = Y,Tb, Ho,Er, Y0.6Tb0.4, Er0.8Tb0.2)

To evaluate the influence of different rare earth metals on dislocation type and stacking fault occurrence in RNi2B2C compounds samples with R = Y, Tb, Ho, Er, Y_0.6Tb_0.4 and Er_0.8Tb_0.2 were investigated. As a result of the TEM analysis the parameter decisive for the lattice defects in these compounds is not the type of components but the annealing treatment of the samples. In well homogenized material the dominant Burgers vector of perfect dislocations was <100] and stacking faults are hardly found. In inhomogeneous samples the dominant Burgers vector was <110] and the perfect dislocations often lie in the planes of the numerous stacking faults. In both types of materials the experimental results hint at the existence of two different slip systems.     

泛函积分与玻色费米子模型中的长波激发

本文采用泛函积分方法研究了高温超导中玻色-费米子模型的长波激发.推导了能隙方程和激发谱方程,并且计算了在长波近似下费米场的玻色能谱,得到了简并和非简并激发模.     

金属纳米粒子的超导临界半径计算

应用随机矩阵理论研究了金属纳米粒子的超导电性，特别是其临界超导半径。将计算结果同其他理论与实验相比较后发现：引入随机矩阵理论后得出的超导图像，与实验结果定性吻合。在理论上能同时给出纳米粒子超导性增强和减弱效应。     

超导电性理论特征

超导材料的种类非常广泛,有单质金属、合金材料、有机化合物、非金属单质、金属与非金属掺杂材料、金属氧化物等.从超导电性特征又分为非常规超导材料和常规超导材料.因此从超导电性的起源研究超导电性理论的特征具有重要的意义,既是重要的理论研究,又对合成、制备各种新型超导材料具有指导意义.分析研究了超导电性的本征特点,分别从超导的基本物理图像、同位素效应、超导转变温度计算公式表示等方面给出了常规超导体和非常规超导体的全面描述.同时理论上计算了一种有机复合超导材料.     

密度泛函理论的硬度与氧化物超导性的关系

研究了氧化物超导体与元素硬度之间的关系,用硬度均衡值X_1作为氧化物超导性新的经验判据,并用均方根公式确定X_1集中在4.75—5.53这样一个狭窄的范围内,而硬度均衡值在此范围之外的氧化物不具有超导性。这对于进一步探讨氧化物的超导机制有着十分重大的意义。     

超导环电流的研究

以修正的含时金兹堡-朗道理论去研究超导环的超流特性；计算了涡旋运动方程，理论上得到超导环电流是超流量子的整数倍，并且具有多涡旋跳跃；从理论上得到超导环的磁场是量子化的.一定条件下，超流的符号可以发生反转，并且理论上得到了它的表达式.认为超导环是具有对势的对称. 关键词： 超导环 电流 超导电性     

密度泛函理论的电负性与氧化物超导性的关系

研究了稀土氧化物与元素电负性之间的关系。用电负性均衡值Xcq作为稀土氧化物超导电性新的判据依据,并用均方根公式确定稀土氧化物中元素电负性的均衡值Xcq集中在4.537~6.571,而电负性的均衡值在此范围之外的稀土氧化物都不具有超导性。