The phonon dynamics of the low-temperature superconductor Sr2RuO4 is calculated quantitatively in linear response theory and compared with the structurally isomorphic high-temperature superconductor La2CuO4. Our calculation corrects for a typical deficit of LDA-based calculations which always predict a too large electronic kz-dispersion insufficient to describe the c-axis response in the real m...

A hybrid theory which combines the full nonlocal “exact” exchange interaction with the local spindensity approximation of density-functional theory is shown to lead to marked improvement in the description of antiferromagnetically coupled systems. Semiquantitative agreement with experiment is found for the magnitude of the coupling constant in La2CuO4, KNiF3, and K2NiF4. The magnitude of the un...

In-plane and out-of-plane thermal conductivities (κab and κc) are measured on single crystals of pure, 1%-holedoped, and 1%-Zn-doped La2CuO4. The roles of magnons and the spin stripes in the heat transport in these samples are discussed. Comparison with the heat transport in CuGeO3, which shows similar κ(T ) behavior as that of La2CuO4, gives us a lesson of how the heat transport can probe the ...

The ab initio cluster model approach has been used to study the origin of the magnetic coupling in La2CuO4 and, also, its pressure dependence. Use of different cluster models and different ab initio wave functions permits the identification of the three leading mechanisms of magnetic coupling. These are the delocalization of the magnetic orbitals into the anion ‘‘p’’ band, the electronic correl...

Ruddlesden–Popper type electrodes with composition La2CuO4−δ are alternative cathode materials for solid oxide fuel cells (SOFCs); however, the undoped compound exhibits low electrical conductivity potential applications, which is usually increased by alkaline-earth doping. A promising to doping modification of anionic framework halogen In this study, La2CuO4−0.5xAx (A = F, Cl, Br; x 0–0.3) com...

the perovskite-structured la2cuo4 nanoparticles have been synthesized via an ultrasonic-assisted co-precipitation route using octanoic acid as organic surfactant, and the phase composition, morphology, lattice parameters and size of nanoparticles are characterized through fourier transform infrared spectroscopy, x-ray diffraction, scanning electron microscopy and transmission electron microscop...

Superconductivity in copper oxides arises when a parent insulator compound is doped beyond some critical concentration [1]. In the case of La2CuO4 (LCO), high-Tc superconductivity is obtained either by substituting La 3+ with Sr 2+ or by inserting interstitial O 2[2]. Latest advance of the unique capabilities of layer-by-layer oxide molecular beam epitaxy (MBE) allows controlling the structural...

A general mapping between the energy of pertinent magnetic solutions and the diagonal terms of the spin Hamiltonian in a local representation provides the first general framework to extract accurate values for the many body terms of extended spin Hamiltonians from periodic first-principle calculations. Estimates of these terms for La2CuO4, the paradigm of high-Tc superconductor parent compounds...

X iv :c on dm at /9 30 20 13 v1 9 F eb 1 99 3 Theory of Nuclear Spin-Lattice Relaxation in La2CuO4 at High Temperatures A. Sokol, E. Gagliano, and S. Bacci Department of Physics and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, IL 61801-3080 L.D. Landau Institute for Theoretical Physics, Moscow, Russia National Center for Supercomputing Applications, Univers...

By resonant inelastic x-ray scattering in the soft x-ray regime we probe the dynamical multiple-spin correlations in the antiferromagnetic cuprates La2CuO4 and CaCuO2. High resolution measurements at the copper L3 edge allow the clear observation of dispersing bimagnon excitations. Theory based on the ultrashort core-hole lifetime expansion fits the data on these coherent spin excitations witho...