Effect of Sr substitution on superconductivity in Hg2(Ba1-ySry)2YCu2O8-d (part2): bond valence sum approach of the hole distribution

The effects of Sr substitution on superconductivity, and more particulary the changes induced in the hole doping mechanism, were investigated in Hg2(Ba1-ySry)2YCu2O8-d by a "bond valence sum" analysis with Sr content from y = 0.0 to y = 1.0. A comparison with CuBa2YCu2O7-d and Cu2Ba2YCu2O8 systems suggests a possible explanation of the Tc enhancement from 0 K for y = 0.0 to 42 K for y = 1.0. The charge distribution among atoms of the unit cell was determined from the refined structure, for y = 0.0 to 1.0. It shows a charge transfer to the superconducting CuO2 plane via two doping channels pi(1) and pi(2), i.e. through O2(apical)-Cu and Ba/Sr-O1 bonds respectively.Comment: 13 pages, 5 figures, accepted for publication in Journal of Physics: Condensed Matte

Absence of a structural transition up to 40 Gpa in MgB2 and the relevance of magnesium non-stoichiometry

We report measurements on MgB2 up to ~40GPa. Increasing pressure yields a monotonous decrease of the lattice parameters and of the c/a ratio, but no structural transition down to parameters smaller than those of AlB2. The transition superconducting temperature also decreases with temperature in a sample dependent way. The results are explained by an increase of the filling of the 2D pxy bands with pressure, the Mg stoichiometry determining the starting position of the Fermi level. Our measurements indicate that these hole bands are the relevant ones for superconductivity.Comment: submitted March 9th 2001, PRB accepte

Superconductivity in Pr2Ba4Cu7O15-delta with metallic double chains

We report superconductivity with $T_{c,onset}$=$\sim$10K in Pr$_{2}$Ba$_{4}$Cu$_{7}$O$_{15-\delta}$ compound possessing metallic double chains. A reduction treatment on as-sintered samples causes not only the enhanced metallic conduction but also the appearance of superconductivity accompanied by the c-axis elongation due to oxygen deficiency

Double superconducting transition in the filled skutterudite PrOs4Sb12 and sample characterizations

A thorough characterization of many samples of the filled skutterudite compound PrOs4Sb12 is provided. We find that the double superconducting transition in the specific heat Tc1~1.89K and Tc2~1.72K tends to appear in samples with a large residual resistivity ratio, large specific heat jump at the superconducting transition and with the highest absolute value of the specific heat above Tc1. However, we present evidence which casts doubt on the intrinsic nature of the double superconducting transition. The ratio of the two specific heat jumps \Delta C(Tc1)/\Delta C(Tc2) shows a wide range of values on crystals from different batches but also within the same batch. This ratio was strongly reduced by polishing a sample down to 120um. Remarkably, three samples exhibit a single sharp transition of ~15mK in width at Tc~1.7K. The normalized specific heat jump (C-Cnormal)/Cnormal at Tc of two of them is higher than ~32% so larger than the sum of the two specific heat jumps when a double transition exists. As an evidence of better quality, the slope in the transition is at least two time steeper. We discuss the origins of the double transition; in particular we consider, based on X-ray diffraction results, a scenario involving Pr-vacancies. The superconducting phase diagram under magnetic field of a sample with a single transition is fitted with a two-band model taking into account the good values for the gap as deduced from thermal conductivity measurements.Comment: 10 pages, 9 figures, 2 tables, submitted to Physical review

Anisotropic Optic Conductivities due to Spin and Orbital Orderings in LaVO3 and YVO3: First-Principles Studies

The anisotropy of low energy (0$\sim$5eV) optical excitations in strongly correlated transition-metal oxides is closely related to the spin and orbital orderings. The recent successes of LDA+$U$ method in describing the magnetic and electronic structures enable us to calculate the optical conductivity from first-principles. The LaVO$_3$ and YVO$_3$, both of which have $3d^2$ configuration and have various spin and orbital ordered phases at low temperature, show distinct anisotropy in the optical spectra. The effects of spin and orbital ordering on the anisotropy are studied in detail based on our first-principles calculations. The experimental spectra of both compounds at low temperature phases can be qualitatively explained with our calculations, while the studies for the intermediate temperature phase of YVO$_3$ suggest the substantial persistence of the low temperature phase at elevated temperature.Comment: 6 pages, 3 figures, accepted by PR

Nonmagnetic insulator state in Na1CoO2 and phase separation of Na vacancies

Crystallographic, magnetic, and NMR properties of a NaxCoO2 single crystal with x≃1 are presented. We identify the stoichiometric Na1CoO2 phase, which is shown to be a nonmagnetic insulator, as expected for homogeneous planes of Co3+ ions with S=0. In addition, we present evidence that, because of slight average Na deficiency, chemical and electronic phase separation leads to a segregation of Na vacancies into the well-defined, magnetic, Na0.8CoO2 phase. The importance of phase separation is discussed in the context of magnetic order for x≃0.8 and the occurrence of a metal-insulator transition for x→1

Electronic and structural properties of superconducting MgB2_2, CaSi2_2 and related compounds

We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include zone-center phonon frequencies and transport properties, are performed within the local density approximation to the density functional theory, using the full-potential linearized augmented plane wave (FLAPW) and the norm-conserving pseudopotential methods. Our results indicate essentially three-dimensional properties for these compounds; however, strongly two-dimensional $\sigma$-bonding bands contribute significantly at the Fermi level. Similarities and differences between \mgbtwo and \bebtwo (whose superconducting properties have not been yet investigated) are analyzed in detail. Our calculations for \mgalbtwo show that metal substitution cannot be fully described in a rigid band model. \casitwo is studied as a function of pressure, and Be substitution in the Si planes leads to a stable compound similar in many aspects to diborides.Comment: Revised version, Phys.Rev.B in pres

Surface quality studies of high Tc_{c} superconductors of the Hg , Tl and Hgx_{x}Tl1−x_{1-x}-families: RBS and resonant C and O backscattering studies

The composition, crystallinity, uniformity, purity, and thermal stability of cuprate superconductors have been studied by Rutherford backscattering and channeling spectrometry, and 3.045 MeV He$^{+}$ oxygen non-Rutherford resonant scattering. Further experiments have been performed with 1.75 MeV H$^{+}$carbon non-Rutherford resonant scattering. Three sets of samples were studied : HgBa$_{2}$CuO$_{(4+\delta)}$ (Hg1201), Hg$_{x}$T1$_{1-x}$Ba$_{2}$Ca$_{2}$Cu$_{3}$O$_{(2n+\delta)}$ (Hg,T1-1223) and T1$_{1.85}$Ba$_{2}$CuO$_{6}$/LaA10$_{3}$ (T1-2201), either in bulk or as an epitaxial thin film. It was observed that the superconductors exhibit a metal deficiency near the surface, which is largely compensated by excess oxygen. Moreover, the samples are significantly contaminated with carbon within the probing region of the H$^+$ beam. The thermal stability and surface degradation were studied in both oxidizing ambient and vacuum. As a general trend, the heavy metal deficiency — and consequently the compensating oxygen excess — is enhanced as the temperature increases

Superconductivity in Pseudo-Binary Silicide SrNixSi2-x with AlB2-Type Structure

We demonstrate the emergence of superconductivity in pseudo-binary silicide SrNixSi2-x. The compound exhibits a structural phase transition from the cubic SrSi2-type structure (P4132) to the hexagonal AlB2-type structure (P6/mmm) upon substituting Ni for Si at approximately x = 0.1. The hexagonal structure is stabilized in the range of 0.1 < x < 0.7. The superconducting phase appears in the vicinity of the structural phase boundary. Ni acts as a nonmagnetic dopant, as confirmed by the Pauli paramagnetic behavior.Comment: 12 pages, 5 figure

Pressure Effects and Large Polarons in Layered MgB_2 Superconductor

We consider the dependence of the MgB_2 superconducting critical temperature on the pressure. Our model exploits the influence of the large polarons on the band structure of the layered MgB_2 superconductor. Namely, the hole Pekar-Froehlich polarons form quasi two-dimensional potential wells in the boron plane which shift the positions of the sigma- and pi-bands. This energy shift depends on the pressure and the Cooper pairing of the correlated sigma-electrons happens inside polaron wells. The results obtained are as follows: dT_c/dp = -\alpha (5.2 \pm 0.9) K/GPa or dT_c/dp = -\alpha (6.9\pm 1.1) K/GPa for a different choice of the Grueneisen parameter. Being compared with known experimental data they give us a resonable interval for the value of the Froehlich electron-phonon coupling constant: \alpha = 0.15 - 0.45.Comment: 6 pages, 1 fig, LaTeX, subm. to Phys. Rev.