Ordering near the percolation threshold in models of two-dimensional interacting bosons with quenched dilution

Randomly diluted quantum boson and spin models in two dimensions combine the physics of classical percolation with the well-known dimensionality dependence of ordering in quantum lattice models. This combination is rather subtle for models that order in two dimensions but have no true order in one dimension, as the percolation cluster near threshold is a fractal of dimension between 1 and 2: two experimentally relevant examples are the O(2) quantum rotor and the Heisenberg antiferromagnet. We study two analytic descriptions of the O(2) quantum rotor near the percolation threshold. First a spin-wave expansion is shown to predict long-ranged order, but there are statistically rare points on the cluster that violate the standard assumptions of spin-wave theory. A real-space renormalization group (RSRG) approach is then used to understand how these rare points modify ordering of the O(2) rotor. A new class of fixed points of the RSRG equations for disordered one-dimensional bosons is identified and shown to support the existence of long-range order on the percolation backbone in two dimensions. These results are relevant to experiments on bosons in optical lattices and superconducting arrays, and also (qualitatively) for the diluted Heisenberg antiferromagnet La-2(Zn,Mg)(x)Cu1-xO4.

Geometric quantum computation using fictitious spin-1/2 subspaces of strongly dipolar coupled nuclear spins

Geometric phases have been used in NMR to implement controlled phase shift gates for quantum-information processing, only in weakly coupled systems in which the individual spins can be identified as qubits. In this work, we implement controlled phase shift gates in strongly coupled systems by using nonadiabatic geometric phases, obtained by evolving the magnetization of fictitious spin-1/2 subspaces, over a closed loop on the Bloch sphere. The dynamical phase accumulated during the evolution of the subspaces is refocused by a spin echo pulse sequence and by setting the delay of transition selective pulses such that the evolution under the homonuclear coupling makes a complete 2 pi rotation. A detailed theoretical explanation of nonadiabatic geometric phases in NMR is given by using single transition operators. Controlled phase shift gates, two qubit Deutsch-Jozsa algorithm, and parity algorithm in a qubit-qutrit system have been implemented in various strongly dipolar coupled systems obtained by orienting the molecules in liquid crystal media.

Electronic structure of high-Tc superconductors from core-level spectroscopies

Using the configuration-interaction approach, we show that various core-level spectroscopic observations on the high-Tc superconducting oxides can be consistently described in terms of mixing between d9 and d10 configurations, with a negligible amount of the d8 (Cu3+) state. From our analysis of the existing experimental data, we provide evidence of a wide and continuous valence transition in these systems as a function of temperature. The changes in the hybridization strengths deduced here are indicative of structural modifications of the square-planar CuO4 clusters with decreasing temperature.

Electron microscopic investigation of high-temperature oxide superconductors

Electron microscopic investigations have been carried out on superconducting YBa2Cu3 O7−δ, NdBa2Cu3 O7−δ and related oxides. All these orthorhombic oxides exhibit twin domains. Based on high resolution electron microscopy, it is shown that there is no significant change in the structure across the twins. Oxides of the La2−x Sr x (Ba x )CuO4 system do not show twins, but exhibit other types of defects. Twins appear to be characteristic of only the orthorhombic 123 structures.

Oxygen stoichiometry and structure of YBa2Cu3O7−δ and their relation to superconductivity

Thermogravimetric curves of the superconducting samples (0.0 ≤ δ left angle bracket0.5) of YBa2Cu3O7−δ are shown to be characteristically different from those of the non-superconducting samples (δreverse similar, equals0.5–1.0). The variation of Tc (from resistivity measurements) with δ confirms for a change from Image to Image Bands found in bright or dark field electron micrographs are shown to arise for different orientations of the [CuO2]∞ planes, causing oxygen enrichment in the boundaries. A new defect with missing Y-rows is found in the images of Y1−xBa2Cu3O7.

First-principles analysis of electron correlation, spin ordering and phonons in the normal state of FeSe1-x

We present first-principles density-functional-theory-based calculations to determine the effects of the strength of on-site electron correlation, magnetic ordering, pressure and Se vacancies on phonon frequencies and electronic structure of FeSe1-x. The theoretical equilibrium structure (lattice parameters) of FeSe depends sensitively on the value of the Hubbard parameter U of on-site correlation and magnetic ordering. Our results suggest that there is a competition between different antiferromagnetic states due to comparable magnetic exchange couplings between first- and second-neighbor Fe sites. As a result, a short range order of stripe antiferromagnetic type is shown to be relevant to the normal state of FeSe at low temperature. We show that there is a strong spin-phonon coupling in FeSe (comparable to its superconducting transition temperature) as reflected in large changes in the frequencies of certain phonons with different magnetic ordering, which is used to explain the observed hardening of a Raman-active phonon at temperatures (similar to 100 K) where magnetic ordering sets in. The symmetry of the stripe antiferromagnetic phase permits an induced stress with orthorhombic symmetry, leading to orthorhombic strain as a secondary order parameter at the temperature of magnetic ordering. The presence of Se vacancies in FeSe gives rise to a large peak in the density of states near the Fermi energy, which could enhance the superconducting transition temperature within the BCS-like picture.

Solid-state chemistry of high-temperature oxide superconductors:The experimental situation

High-temperature superconductivity in oxides of the type(La, Ln)2?xBax(Sr)xCuO4, Y(Ln)Ba2Cu3O7??, La3?xBa3+xCu6O14, and related systems is discussed with emphasis on aspects related to experimental solid-state chemistry. All of these oxides possess perovskite-related structures. Oxygen-excess and La-deficient La2CuO4 also exhibit superconductivity in the 20�40 K just as La2?xBax(Srx)CuO4; these oxides are orthorhombic in the superconductivity phase. The crucial role of oxygen stoichiometry in the superconductivity ofYBa2Cu3O7?? (Tc = 95 ± 5K) is examined; this oxide remains orthorhombic up to ? ? 0.6 and becomes tetragonal and nonsuperconducting beyond this value of ?. Oxygen stoichiometry in this and related oxides has to be understood in terms of structure and disorder. The structure of La3?xBa3+xCu6O14 is related to that of YBa2Cu3O7, the orthorhombic structure manifesting itself when the population of O1 oxygens (along the Cusingle bondOsingle bondCu chains) is preponderant compared to that of O5 oxygens (along thea-axis); nearly equal populations of O1 and O5 sites give rise to the tetragonal structure. A transition from a high-Tc (95 K) superconductivity regime to a low-Tc (not, vert, similar60 K) regime occurs in YBa2Cu3O7?? accompanying a change in ?. There is no evidence for Cu3+ in these nominally mixed valent copper oxides. Instead, holes are present on oxygens giving rise to O? or O2?2 species, the concentration of these species increasing with the lowering of temperature. Certain interesting aspects of the superconducting oxides such as domain or twin boundaries, Raman spectra, microwave absorption, and anomalous high-temperature resistivity drops are presented along with the important material parameters. Preparative aspects of the superconducting oxides are briefly discussed. Phase transitions seem to occur atTc as well as at not, vert, similar240 K in YBa2Cu3O7.

Superconductivity in the 100–120 K region in oxides of the Tl-Ca-Ba-Cu-O system

Oxides with different cation ratios 2122, 2212, 2213 and 2223 in the Ti-Ca-Ba-Cu-O system exhibit onset of superconductivity in the 110–125 K range with zero-resistance in the 95–105 K range. Electron microscopic studies show dislocations, layered morphology and other interesting features. These oxides absorb electromagnetic radiation (9.11 GHz) in the superconducting phase.

The Y3?xBa3+xCu6O14+? system of superconductors

Members of the Y3?xBa3+xCu6O14+? system prepared at relatively low temperatures by nitrate decomposition have a tetragonal structure and show superconducting transitions (zero-resistance) around 50K.

Performance comparison of dynamical decoupling sequences for a qubit in a rapidly fluctuating spin bath

Avoiding the loss of coherence of quantum mechanical states is an important prerequisite for quantum information processing. Dynamical decoupling (DD) is one of the most effective experimental methods for maintaining coherence, especially when one can access only the qubit system and not its environment (bath). It involves the application of pulses to the system whose net effect is a reversal of the system-environment interaction. In any real system, however, the environment is not static, and therefore the reversal of the system-environment interaction becomes imperfect if the spacing between refocusing pulses becomes comparable to or longer than the correlation time of the environment. The efficiency of the refocusing improves therefore if the spacing between the pulses is reduced. Here, we quantify the efficiency of different DD sequences in preserving different quantum states. We use C-13 nuclear spins as qubits and an environment of H-1 nuclear spins as the environment, which couples to the qubit via magnetic dipole-dipole couplings. Strong dipole-dipole couplings between the proton spins result in a rapidly fluctuating environment with a correlation time of the order of 100 mu s. Our experimental results show that short delays between the pulses yield better performance if they are compared with the bath correlation time. However, as the pulse spacing becomes shorter than the bath correlation time, an optimum is reached. For even shorter delays, the pulse imperfections dominate over the decoherence losses and cause the quantum state to decay.

An X-ray and neutron diffraction study of cation substituted TlSr2CuO5

The structures of TlSr(2−x)LaxCuO(5+δ), with x=0.5, 0.75 and 1, and Tl.5Pb0.5Sr2CuO(5+δ) have been examined with X-ray and neutron powder Rietveld refinement. They are isostructural (P4/mmm) with the corresponding thallium-barium cuprate having one Cu-O layer with Cu3+ ions in octahedral coordination with oxygen (structure type 1201). The influence of cation substitution and disorder on the structure and superconducting properties of these phases have been investigated. La3+ substitution for Sr2+ stabilises the structure and reduces Cu3+, permitting superconductivity, while Pb2+ substitution for Tl3+ only stabilises the structure, without reducing Cu3+.

Correlations between frequency of infra-red active vibrational modes and copper-oxygen distance in copper oxides. Application to superconductors

The infra-red spectra of a large number of ternary Cu(II) oxides with at least a quasi square-planar coordination of oxygen around the copper ions have been studied. The frequency of the bands with the highest frequency,v max, is found to correlate extremely well with the shortest Cu–O distance.v max increases at an impressive rate of sim20 cm–1 per 0.01 Å when the Cu–O distance becomes less than 1.97 Å, which is the Cu2+–O2– distance in square-planar CuO4 complexes as obtained from empirical ionic radii considerations. The marked sensitivity may be used as a ldquotitrationrdquo procedure not only to assign bands but also to obtain diagnostic information about local coordination in compounds derived, for example, from the YBa2Cu3O7–d structure such as LaCaBaCu3O7–d . The only example where this correlation fails is in the two-layer non-superconducting oxides derived from La2(Ca, Sr)Cu2O6. The significance of this result is discussed. The marked dependence of frequency on the bond-distance is qualitatively examined in terms of an increased electron-phonon coupling to account for the observed tendency of the superconducting transition temperature to go through a maximum as the average basal plane Cu–O distance is decreased.

Dominant role of the Cu---O charge-transfer energy, electronic polarizability and associated factors in the superconductivity of cuprates

Although it is believed that there is strong hybridization between the Cu(3d) and O(2p) orbitals in the layered cuprates and that the parent compounds such as La2CuO4 are charge-transfer gap insulators, very few models consider the Cu---O charge-transfer energy, Δ, or the hybridization strength, tpd, to be the important factors responsible for the superconductivity of these materials. Based on the crucial experimental observation that the relative intensity of the features in Cu(2p) photoemission of several families of cuprates varies systematically with the hole concentration, nh, we have been able to show that both these properties vary smoothly with Δ /tpd. More importantly, we show that the electronic polarizability of the CuO2 sheets, α , is sufficiently large to favour hole pairing and that the value α also depends on Δ/tpd. Both nh and α increase smoothly with decreasing Δ /tpd. Considering that the maximum Tc in the various cuprate families containing the same number of CuO2 sheets occurs around the same nh value (e.g., nh≈ 0.2 in cuprates with two CuO2 sheets). The present study demonstrates how Δ /tpd, α and such chemical bonding characteristics have an important bearing on the superconducting properties of the cuprates.

Standard Gibbs' energies of formation of BaCuO2, Y2Cu2O5 and Y2BaCuO5

The Gibbs' energies of formation of BaCuO2, Y2Cu2O5 and Y2BaCuO5 from component oxides have been measured using solid state galvanic cells incorporating CaF2 as the solid electrolyte under pure oxygen at a pressure of 1.01 x 10(5) Pa Because the superconducting compound YBa2Cu3O7-delta coexists with any two of the phases CuO, BaCuO2 and Y2BaCuO5, the data on BaCuO2 and Y2BaCuO5 obtained in this study provide the basis for the evaluation of the Gibbs' energy of formation of the 1-2-3 compound at high temperatures.

Superconductivity in Ba(Pb,Bi,Sb)O3, Ba(Pb,Bi,Te)O3 and (Ba,La) (Pb,Bi,Tl)O3 systems

It is possible to substitute Bi in the superconducting BaPb0.75Bi0.25O3 by Sb or Te without destroying the superconductivity. With Sb, a continuous series of solid solutions BaPb0.75Bi0.25?ySbyO3 (0 less-than-or-equals, slant y less-than-or-equals, slant 0.25) exists, while with Te, perovskite BaPb0.75Bi0.25?yTeyO3 exists only upto y = 0.15. With increasing substitution by Sb or Te, Tc decreases continously in both the systems. Superconductivity with a maximum Tc of 8K is found in Ba0.9La0.1Pb0.9?yBiyTl0.1O3 for y = 0.25.