Structural and Magnetic Instabilities of La2−x_{2-x}Srx_xCaCu2_2O6_6

A neutron scattering study of nonsuperconducting La$_{2-x}$Sr$_x$CaCu$_2$O$_6$ (x=0 and 0.2), a bilayer copper oxide without CuO chains, has revealed an unexpected tetragonal-to-orthorhombic transition with a doping dependent transition temperature. The predominant structural modification below the transition is an in-plane shift of the apical oxygen. In the doped sample, the orthorhombic superstructure is strongly disordered, and a glassy state involving both magnetic and structural degrees of freedom develops at low temperature. The spin correlations are commensurate.Comment: published versio

Structure of Charge Density Waves in La1.875_{1.875}Ba0.125_{0.125}CuO4_4

Although charge-density wave (CDW) correlations exist in several families of cuprate supercon-ductors, they exhibit substantial variation in CDW wavevector and correlation length, indicating a key role for CDW-lattice interactions. We investigated this interaction in La$_{1.875}$Ba$_{0.125}$CuO$_4$ using single crystal x-ray diffraction to collect a large number of CDW peak intensities, and determined the Cu and La/Ba atomic distortions induced by the formation of CDW order. Within the CuO$_2$ planes, the distortions involve a periodic modulation of the Cu-Cu spacing along the direction of the ordering wave vector. The charge ordering within the copper-oxygen layer induces an out-of-plane breathing modulation of the surrounding lanthanum layers, which leads to a related distortion on the adjacent copper-oxygen layer. Our result implies that the CDW-related structural distortions do not remain confined to a single layer but rather propagate an appreciable distance through the crystal. This leads to overlapping structural modulations, in which CuO$_2$ planes exhibit distortions arising from the orthogonal CDWs in adjacent layers as well as distortions from the CDW within the layer itself. We attribute this striking effect to the weak c-axis charge screening in cuprates and suggest this effect could help couple the CDW between adjacent planes in the crystal.Comment: 9 pages; Accepted in Phys. Rev.

Density functional electronic spectrum of the CuO−6−10Cu O_{-6}^{-10} cluster and possible local Jahn-Teller distorsions in the La-Ba-Cu-O superconductor

We present a density functional theory (DFT) calculation in the generalized gradient approximation to study the possibility for the existence of Jahn-Teller (JT) or pseudo Jahn-Teller (PJT) type local distortions in the La-Ba-Cu-O superconducting system. We performed the calculation and correspondingly group theory classification of the electronic ground state of the CuO${_{6}}^{-10}$ elongated octahedra cluster, immersed in a background simulating the superconductor. Part of the motivation to do this study is that the origin of the apical deformation of the CuO${_{6}}^{-10}$ cluster is not due to a pure JT effect, having therefore a non {\it a priori} condition to remove the degeneracy of the electronic ground state of the parent regular octahedron. We present a comparative analysis of the symmetry classified electron spectrum with previously reported results using unrestricted Hartree-Fock calculations (UHF). Both the DFT and UHF calculations produced a non degenerate electronic ground state, not having therefore the necessary condition for a pure JT effect. However, the appearance of a degenerate E$_{g}$ state near to the highest occupied molecular orbital in the DFT calculation, suggests the possibility for a PJT effect responsible for a local distortion of the oxidized CuO$_{6}^{-9}$ cluster.Comment: 12 pages, 3 figures, submitted to International Journal of Modern Physics B (IJMPB

Theory of the Diamagnetism Above the Critical Temperature for Cuprates

Recently experiments on high critical temperature superconductors has shown that the doping levels and the superconducting gap are usually not uniform properties but strongly dependent on their positions inside a given sample. Local superconducting regions develop at the pseudogap temperature ($T^*$) and upon cooling, grow continuously. As one of the consequences a large diamagnetic signal above the critical temperature ($T_c$) has been measured by different groups. Here we apply a critical-state model for the magnetic response to the local superconducting domains between $T^*$ and $T_c$ and show that the resulting diamagnetic signal is in agreement with the experimental results.Comment: published versio

Stacking disorder in α\alpha-RuCl3_3 via x-ray three-dimensional difference pair distribution function analysis

The van der Waals layered magnet $\alpha$-RuCl$_3$ offers tantalizing prospects for the realization of Majorana quasiparticles. Efforts to understand this are, however, hampered by inconsistent magnetic and thermal transport properties likely coming from the formation of structural disorder during crystal growth, postgrowth processing, or upon cooling through the first order structural transition. Here, we investigate structural disorder in $\alpha$-RuCl$_3$ using x-ray diffuse scattering and three-dimensional difference pair distribution function (3D-$\Delta$PDF) analysis. We develop a quantitative model that describes disorder in $\alpha$-RuCl$_3$ in terms of rotational twinning and intermixing of the high and low-temperature structural layer stacking. This disorder may be important to consider when investigating the detailed magnetic and electronic properties of this widely studied material.Comment: 6 pages; 3 figures; accepted in Physical Review

Peak positions and shapes in neutron pair correlation functions from powders of highly anisotropic crystals

The effect of the powder average on the peak shapes and positions in neutron pair distribution functions of polycrystalline materials is examined. It is shown that for highly anisotropic crystals, the powder average leads to shifts in peak positions and to non-Gaussian peak shapes. The peak shifts can be as large as several percent of the lattice spacing

Pressure Studies on a High-TcT_c Superconductor Pseudogap and Critical Temperatures

We report simultaneous hydrostatic pressure studies on the critical temperature $T_c$ and on the pseudogap temperature $T^*$ performed through resistivity measurements on an optimally doped high-$T_c$ oxide $Hg_{0.82}Re_{0.18}Ba_2Ca_2Cu_3O_{8+\delta}$. The resistivity is measured as function of the temperature for several different applied pressure below 1GPa. We find that both $T_c$ and $T^*$ increases linearly with the pressure. This result demonstrate that the well known intrinsic pressure effect on $T_c$ is also present at $T^*$ and both temperatures are originated by the same superconducting mechanism.Comment: 4 pages and 2 figures in eps, final versio