Atomistic models for R1–xPrxBa2Cu3O7–δ (R = Y and lanthanides) and related oxides

We report the results of defect structures studies of silicon implanted at different temperatures with Mn ions (Si:Mn) and of GaMnAs layers, next annealed under ambient and high pressures. An influence of annealing conditions on structural properties of Si:Mn and GaMnAs layers was investigated. It has been confirmed that annealing of the Si:Mn samples after implantation results in crystallization of silicon inside the buried postimplanted layer, as well as in the formation of ferromagnetic Mn4Si7 precipitates. A change of strain in the GaMnAs layer, from the compressive to the tensile one, related to a creation of nanoclustered MnAs, was found to be dependent on processing conditions and primary existing structural defects, while independent of the Mn concentration. An influence of primary defects on the structural transformations of the GaMnAs layer is discussed.Атомістичні методи імітаційного моделювання, основані на принципі мінімізації енергії, використані для вивчення структурних параметрів ряду орторомбічних R1–xPrxBa2Cu3O6.5 і пов'язаних з ними сполук. Нові міжатомні потенційні параметри взаємодії одержані для широкого діапазону оксидів, таких як CuO, R2O3, RBa2Cu3O6.5 і R1–xPrxBa2Cu3O6.5 (всього 62 сполуки). Одержані дані знаходяться в доброму узгoдженні з попередніми результатами експериментальних і теоретичних досліджень. Мета даної роботи – прогнозування решіточних потенціалів взаємодії, що можуть бути надалі використані як основа для теоретичного вивчення дефектної хімії надпровідних купратів та інших технологічно важливих оксидів

Atomistic studies of Li+ migration in Y₂O₃ and the structure of related oxides

Atomistic computer simulation techniques based on energy minimization have been employed to predict the equilibrium lattice parameters and volumes of a series of rare-earth sesquioxides and their polymorphs. The results have been found in agreement with experimental data and ab initio studies given in the literature. To demonstrate the applicability of the computational methodology the migration of lithium ions (Li⁺) in yttria (Y₂O₃) has been considered.Атомістичні методи комп’ютерного моделювання, основані на принципі мінімізації енергії, використані для прогнозування рівноважних параметрів і об’єма кристалічної гратки ряда рідкоземельних оксидів та їх поліморф. Результати моделювання знаходяться в доброму узгoдженні з експериментальними і літературними даними. Для демонстрації запропонованої обчислювальної методики розглянутo міграцію іонів літія (Li⁺) в оксиді ітрія (Y₂O₃).Атомистические методы компьютерного моделирования, основанные на принципе минимизации энергии, использованы для предсказания равновесных параметров и объема кристаллической решетки ряда редкоземельных оксидов и их полиморф. Результаты моделирования находятся в хорошем согласии с экспериментальными и литературными данными. Для демонстрации применимости предложенной вычислительной методики рассмотрена миграция ионов лития (Li⁺) в оксиде иттрия (Y₂O₃)

Transition to an Insulating Phase Induced by Attractive Interactions in the Disordered Three-Dimensional Hubbard Model

We study numerically the interplay of disorder and attractive interactions for spin-1/2 fermions in the three-dimensional Hubbard model. The results obtained by projector quantum Monte Carlo simulations show that at moderate disorder, increasing the attractive interaction leads to a transition from delocalized superconducting states to the insulating phase of localized pairs. This transition takes place well within the metallic phase of the single-particle Anderson model.Comment: revtex, 4 pages, 3 figure

Universal scaling of the Hall resistivity in MgB2 superconductors

The mixed-state Hall resistivity and the longitudinal resistivity in superconducting MgB2 thin films have been investigated as a function of the magnetic field over a wide range of current densities from 100 to 10000 A/cm^2. We observe a universal Hall scaling behavior with a constant exponent of 2.0, which is independent of the magnetic field, the temperature, and the current density. This result can be interpreted well within the context of recent theories.Comment: 4 page

Normal-superconducting transition induced by high current densities in YBa2Cu3O7-d melt-textured samples and thin films: Similarities and differences

Current-voltage characteristics of top seeded melt-textured YBa2Cu3O7-d are presented. The samples were cut out of centimetric monoliths. Films characteristics were also measured on microbridges patterned on thin films grown by dc sputtering. For both types of samples, a quasi-discontinuity or quenching was observed for a current density J* several times the critical current density Jc. Though films and bulks much differ in their magnitude of both Jc and J*, a proposal is made as to a common intrinsic origin of the quenching phenomenon. The unique temperature dependence observed for the ratio J*/Jc, as well as the explanation of the pre-quenching regime in terms of a single dissipation model lend support to our proposal.Comment: 10 pages, 10 figures, submitted to Physical Review

Hall-conductivity sign change and fluctuations in amorphous Nbx_{x}Ge1−x_{1-x} films

The sign change in the Hall conductivity has been studied in thin amorphous Nb$_{1-x}$Ge$_x (x\approx$0.3) films. By changing the film thickness it is shown that the field at which the sign reversal occurs shifts to lower values (from above to below the mean-field transition field $H_{c2}$) with increasing film thickness. This effect can be understood in terms of a competition between a positive normal and a negative fluctuation contribution to the Hall conductivity.Comment: 5 pages, 4 figures, to appear in Phys. Rev.

Scaling Behavior of Anomalous Hall Effect and Longitudinal Nonlinear Response in High-Tc Superconductors

Based on existing theoretical model and by considering our longitudinal nonlinear response function, we derive a nonliear equation in which the mixed state Hall resistivity can be expressed as an analytical function of magnetic field, temperature and applied current. This equation enables one to compare quantitatively the experimental data with theoretical model. We also find some new scaling relations of the temperature and field dependency of Hall resistivity. The comparison between our theoretical curves and experimental data shows a fair agreement.Comment: 4 pages, 3 figure

Effects of columnar disorder on flux-lattice melting in high-temperature superconductors

The effect of columnar pins on the flux-lines melting transition in high-temperature superconductors is studied using Path Integral Monte Carlo simulations. We highlight the similarities and differences in the effects of columnar disorder on the melting transition in YBa$_2$Cu$_3$O$_{7-\delta}$ (YBCO) and the highly anisotropic Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (BSCCO) at magnetic fields such that the mean separation between flux-lines is smaller than the penetration length. For pure systems, a first order transition from a flux-line solid to a liquid phase is seen as the temperature is increased. When adding columnar defects to the system, the transition temperature is not affected in both materials as long as the strength of an individual columnar defect (expressed as a flux-line defect interaction) is less than a certain threshold for a given density of randomly distributed columnar pins. This threshold strength is lower for YBCO than for BSCCO. For higher strengths the transition line is shifted for both materials towards higher temperatures, and the sharp jump in energy, characteristic of a first order transition, gives way to a smoother and gradual rise of the energy, characteristic of a second order transition. Also, when columnar defects are present, the vortex solid phase is replaced by a pinned Bose glass phase and this is manifested by a marked decrease in translational order and orientational order as measured by the appropriate structure factors. For BSCCO, we report an unusual rise of the translational order and the hexatic order just before the melting transition. No such rise is observed in YBCO.Comment: 32 pages, 13 figures, revte