Effective t-J model Hamiltonian parameters of monolayered cuprate superconductors from ab initio electronic structure calculations

The magnetic coupling constant of selected cuprate superconductor parent compounds has been determined by means of embedded cluster model and periodic calculations carried out at the same level of theory. The agreement between both approaches validates the cluster model. This model is subsequently employed in state-of-the-art configuration interaction calculations aimed to obtain accurate values of the magnetic coupling constant and hopping integral for a series of superconducting cuprates. Likewise, a systematic study of the performance of different ab initio explicitly correlated wave function methods and of several density functional approaches is presented. The accurate determination of the parameters of the t-J Hamiltonian has several consequences. First, it suggests that the appearance of high-Tc superconductivity in existing monolayered cuprates occurs with J/t in the 0.20¿0.35 regime. Second, J/t=0.20 is predicted to be the threshold for the existence of superconductivity and, third, a simple and accurate relationship between the critical temperatures at optimum doping and these parameters is found. However, this quantitative electronic structure versus Tc relationship is only found when both J and t are obtained at the most accurate level of theory.

Properties of Anisotropic Superconductors in SR Model

The present thesis deals with the theoretical investigations on the effect of anisotropy on various properties of magnetically doped superconductors described by fihiba — Rusinov model.Chapter 1 is introductory. It contains a brief account of the current status of theory of superconductivity. In’ chapter 2 we give the formulation of the problem. Chapter 2.1 gives the BCS theory. The effect of magnetic impurities in superconductors as described by A8 theory is given in chapter 2.2A and that described by SR model is discussed in chapter 2.28. Chapter 2.2c deals with Kondo effect. In chapter 2.3 the anisotropy problem is reviewed. Our calculations, results and discussions are given in chapter 3. Chapter 3.1 deals with Josephson tunnel effect. In chapter 3.2 the thermodynamic critical field H62 is described. Chtpter 3.3 deals with the density of states. The ultrasonic attenuation coefficient and ufitlear spin relaxation are given in chapter 3.4 and 3.5 respectively. In chapter 3.6 we give the upper critical field calculations and chapter 3.7 deals with the response function. The Kondo effect is given in chapter 3.8. In chapter 4 we give the sumary of our results

Studies on High- Tc Superconductors with Inequivalent Conducting Layers

The thesis deals with the study of super conducting properties of layered cuprates within the frame work of a modified Lawrence-Doniach (LD) model. The thesis is organized in seven chapters. Chapter I is a survey of the phenomena and theories of conventional superconductivity which can serve as a springboard for launching the study of the new class of oxide superconductors and it also includes a chronological description of the efforts made to overcome the temperature barrier. Chapter II deals with the structure and properties of the copper oxide superconductors and also the experimental constraints on the theories of high te:::nperature superconductivity. A modified Lawrence-Doniach type of phenomenological model which forms the basis of the presnt study is also discussed. In chapter III~ the temperature dependence of the upper critical field both parallel and perpendicular to the layers is determined and the results are compared with d.c. magnetization measurements on different superconducting compoilllds. The temperature and angular dependence of the lower critical field both parallel and perpendicular to the layers is also discussed. Chapters IV, V and VI deal with thermal fluctuation effects on superconducting properties. Fluctuation specific heat is studied in chapter IV. Paraconductivity both parallel and perpendicular to the layers is discussed in chapter V. Fluctuation diamagnetism is dealt with in chapter VI. Dimensional cross over in the fluctuation regime of all these quantities is also discussed. Chapter VII gives a summary of the results and the conclusions arrived at.

Theoretical study of the structural dependence of nuclear quadrupole frequencies in high-T_c superconductors

The remarkable difference between the nuclear quadrupole frequencies v_Q of Cu(1) and Cu(2) in YBa_2Cu_3O_6 and YBa_2Cu_3O_7 is analyzed. We calculate the ionic contribution to the electric field gradients and estimate, by using experimental results for Cu_2O and La_2CuO_4, the contribution of the d valence electrons. Thus, we determine v_Q1, v_Q2, and the asymmetry parameter η for YBa_2Cu_3O_6 and YBa_2Cu_3O_7. The number of holes in dthe Cu-O planes and chains is found to be important for the different behavior of v_Q1 and v_Q2.

Kondo-attractive-Hubbard model for the ordering of local magnetic moments in superconductors

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Superconductors of the BPSCCO system obtained from rapid cooling process

Bi-based (BPSCCO) superconductors have been extensively studied due to their interesting superconducting properties, especially those that present high transition temperature (T-c). In this work, superconductors of the BPSCCO system were prepared from rapid cooling process and studied under its structural and magnetic properties. Sample as-prepared shows an amorphous behavior, which is converted progressively into 2223 phase. This process permits the control of Pb or Bi loss and the crystallization of the desired phase using several heat annealing processes. The 2201 and 2212 phases were also observed as intermediate phases, before the crystallization of the 2223 phase. The superconductor obtained in this work presented a T-c around 77-K. (C) 2005 Springer Science + Business Media, Inc.

Crossover between macroscopic and mesoscopic regimes of vortex interactions in type-II superconductors

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Two phase transitions in (d(x2-y2)+is)-wave superconductors

We study numerically the temperature dependencies of specific heat, susceptibility, penetration depth, and thermal conductivity of a coupled (d(x2-y2) + is)-wave Bardeen-Cooper-Schrieffer (BCS) superconductor in the presence of a weak s-wave component (1) on square lattice and (2) on a lattice with orthorhombic distortion. As the temperature is lowered past the critical temperature T-c, a less ordered superconducting phase is created in d(x2-y2) wave, which changes to a more ordered phase in (d(x2-y2) + is) wave at T-c1. This manifests in two second-order phase transitions. The two phase transitions are identified by two jumps in specific heat at T-c and T-c1. The temperature dependencies of the superconducting observables exhibit a change from power-law to exponential behavior as temperature is lowered below T-c1 and confirm the new phase transition. (C) 1999 Elsevier B.V. B.V. All rights reserved.

Coexistence of different types of vortex lines in anisotropic superconductors

We considered a system of two vortex lines running in different directions with their average vortex direction making an arbitrary angle theta with respect to the crystal c axis. The free energy of this system is calculated as a function of the relative angle 2 alpha between the two inclined vortex lines with respect to each other. For sufficiently high anisotropy, it is shown that, as the induction is tilted away from the crystal c axis (theta not equal 0), the inclined vortex lines (alpha not equal 0) suddenly becomes more stable than that with parallel vortex lines (alpha = 0). While theta is increased, the system continuously changes towards the parallel configuration before the angle theta approaches 90 degrees.

THEORY OF ELASTICITY OF THE ABRIKOSOV FLUX-LINE LATTICE FOR UNIAXIAL SUPERCONDUCTORS - PARALLEL FLUX LINES

In this paper, we consider the extension of the Brandt theory of elasticity of the Abrikosov flux-line lattice for a uniaxial superconductor for the case of parallel flux lines. The results show that the effect of the anisotropy is to rescale the components of the wave vector k and the magnetic field and order-parameter wave vector cut off by a geometrical parameter previously introduced by Kogan.

Vortices in superconductors with a columnar defect: Finite size effects

In the present work we investigate the behavior of a vortex in a long superconducting cylinder near to a columnar defect at the center. The derivations of the local magnetic field distribution and the Gibbs free energy will be carried out for a cylinder and a cavity of arbitrary sizes. From the general expressions, it is considered two particular limits: one in which the radius of the cavity is very small but the radius of the superconducting cylinder is kept finite; and one in which the radius of the superconducting cylinder is taken very large (infinite) but the radius of the cavity is kept finite. In both cases the maximum number of vortices which are allowed in the cavity is determined. In addition, the surface barrier field for flux entrance into the cavity is calculated. (c) 2005 Elsevier B.V. All rights reserved.