Magnetic anisotropies and general on--site Coulomb interactions in the cuprates

This paper derives the anisotropic superexchange interactions from a Hubbard model for excitations within the copper 3d band and the oxygen 2p band of the undoped insulating cuprates. We extend the recent calculation of Yildirim et al. [Phys. Rev. B {\bf VV}, pp, 1995] in order to include the most general on--site Coulomb interactions (including those which involve more than two orbitals) when two holes occupy the same site. Our general results apply when the oxygen ions surrounding the copper ions form an octahedron which has tetragonal symmetry (but may be rotated as in lanthanum cuprate). For the tetragonal cuprates we obtain an easy--plane anisotropy in good agreement with experimental values. We predict the magnitude of the small in--plane anisoComment: 25 pages, revte

Structure and Dynamics of Superconducting NaxCoO(2) Hydrate and Its Unhydrated Analog

Neutron scattering has been used to investigate the crystal structure and lattice dynamics of superconducting Na0.3CoO2 1.4(H/D)2O, and the parent Na0.3CoO2 material. The structure of Na0.3CoO2 consists of alternate layers of CoO2 and Na and is the same as the structure at higher Na concentrations. For the superconductor, the water forms two additional layers between the Na and CoO2, increasing the c-axis lattice parameter of the hexagonal P63/mmc space group from 11.16 A to 19.5 A. The Na ions are found to occupy a different configuration from the parent compound, while the water forms a structure that replicates the structure of ice. Both types of sites are only partially occupied. The CoO2 layer in these structures is robust, on the other hand, and we find a strong inverse correlation between the CoO2 layer thickness and the superconducting transition temperature (TC increases with decreasing thickness). The phonon density-of-states for Na0.3CoO2 exhibits distinct acoustic and optic bands, with a high-energy cutoff of ~100 meV. The lattice dynamical scattering for the superconductor is dominated by the hydrogen modes, with librational and bending modes that are quite similar to ice, supporting the structural model that the water intercalates and forms ice-like layers in the superconductor.Comment: 14 pages, 7 figures, Phys. Rev. B (in press). Minor changes + two figures removed as requested by refere

Doping evolution of the phonon density of states and electron-lattice interaction in Nd2−x_{2-x}Cex_xCuO4+δ_{4+\delta}

We use inelastic neutron scattering to study the evolution of the generalized phonon density of states (GDOS) of the $n$-type high-$T_c$ superconductor Nd$_{2-x}$Ce$_x$CuO$_{4+\delta}$ (NCCO), from the half-filled Mott-insulator ($x=0$) to the $T_c=24$ K superconductor ($x=0.15$). Upon doping the CuO$_2$ planes in Nd$_2$CuO$_{4+\delta}$ (NCO) with electrons by Ce substitution, the most significant change in the GDOS is the softening of the highest phonon branches associated with the Cu-O bond stretching and out-of-plane oxygen vibration modes. However, the softening occurs within the first few percent of Ce-doping and is not related to the electron doping induced nonsuperconducting-superconducting transition (NST) at $x\approx 0.12$. These results suggest that the electron-lattice coupling in the $n$-type high-$T_c$ superconductors is different from that in the $p$-type materials.Comment: 4 pages and 3 figure

Superexchange coupling and spin susceptibility spectral weight in undoped monolayer cuprates

A systematic inelastic neutron scattering study of the superexchange interaction in three different undoped monolayer cuprates (La_2CuO_4, Nd_2CuO_4 and Pr_2CuO_4) has been performed using conventional triple axis technique. We deduce the in-plane antiferromagnetic (AF) superexchange coupling $J$ which actually presents no simple relation versus crystallographic parameters. The absolute spectral weight of the spin susceptibility has been obtained and it is found to be smaller than expected even when quantum corrections of the AF ground state are taken into account.Comment: 13 pages, 1 table, 3 figure

Infrared optical properties of Pr2CuO4

The ab-plane reflectance of a Pr2CuO4 single crystal has been measured over a wide frequency range at a variety of temperatures, and the optical properties determined from a Kramers-Kronig analysis. Above ~ 250 K, the low frequency conductivity increases quickly with temperature; the resistivity follows the form e^(E_a/k_BT), where E_a ~ 0.17 eV is much less than the inferred optical gap of ~ 1.2 eV. Transport measurements show that at low temperature the resistivity deviates from activated behavior and follows the form e^[(T_0/T)^1/4], indicating that the dc transport in this material is due to variable-range hopping between localized states in the gap. The four infrared-active Eu modes dominate the infrared optical properties. Below ~ 200 K, a striking new feature appears near the low-frequency Eu mode, and there is additional new fine structure at high frequency. A normal coordinate analysis has been performed and the detailed nature of the zone-center vibrations determined. Only the low-frequency Eu mode has a significant Pr-Cu interaction. Several possible mechanisms related to the antiferromagnetism in this material are proposed to explain the sudden appearance of this and other new spectral features at low temperature.Comment: 11 pages, 7 embedded EPS figures, REVTeX

Anomalous magnetic field dependence of the thermodynamic transition line in the isotropic superconductor (K,Ba)Bi03

Thermodynamic (specific heat, reversible magnetization, tunneling spectroscopy) and transport measurements have been performed on high quality (K,Ba)BiO$_3$ single crystals. The temperature dependence of the magnetic field $H_{Cp}$ corresponding to the onset of the specific heat anomaly presents a clear positive curvature. $H_{Cp}$ is significantly smaller than the field $H_\Delta$ for which the superconducting gap vanishes but is closely related to the irreversibility line deduced from transport data. Moreover, the temperature dependence of the reversible magnetization present a strong deviation from the Ginzburg--Landau theory emphasazing the peculiar nature of the superconducting transition in this material.Comment: 4 pages, 4 figures, 28 reference