Nonlocal electron-phonon interaction as a source of dynamic charge stripes in the cuprates

We calculate for La2CuO4 the phonon-induced redistribution of the electronic charge density in the insulating, the underdoped pseudogap and the more conventional metallic state as obtained for optimal and overdoping, respectively. The investigation is performed for the anomalous high-frequency-oxygen-bond stretching modes (OBSM) which experimentally are known to display a strong softening of the frequencies upon doping in the cuprates. This most likely generic anomalous behaviour of the OBSM has been shown to be due to a strong nonlocal electron-phonon interaction (EPI) mediated by charge fluctuations on the ions. The modeling of the competing electronic states of the cuprates is achieved in terms of consecutive orbital selective incompressibility-compressibility transitions for the charge response. We demonstrate that the softening of the OBSM in these states is due to nonlocally induced dynamic charge inhomogenities in form of charge stripes along the CuO bonds with different orbital character. Thus, a multi-orbital approach is essential for the CuO plane. The dynamic charge inhomogeneities may in turn be considered as precursors of static charge stripe order as recently observed in La$_{2-x}$Ba$_{x}$CuO$_{4}$ in a broad range of doping around x=1/8. The latter may trigger a reconstruction of the Fermi surface into small pockets with reduced doping. We argue that the incompressibility of the Cu3d orbital and simultaneously the compressibility of the O2p orbital in the pseudogap state seems to be required to nucleate dynamic stripes.Comment: 10 pages, 4 figures, to be published in "Advances in Condensed Matter Physics

A microscopic modeling of phonon dynamics and charge response in metallic BaBiO3_3

We use our recently proposed microscopic modeling in the framework of linear response theory to investigate the complete phonon dispersion, the phonon density of states, certain phonon-induced electronic charge distributions and charge fluctuations (CF's) for anomalous soft modes of metallic BaBiO$_{3}$ in its simple cubic phase where superconductivity with $T_{c}$ up to 32 K appears. The theoretical approach already has been applied successfully to the cuprate high-temperature superconductors (HTSC's), simple ionic crystals (NaCl, MgO) and perovskite oxides (SrTiO$_{3}$, BaTiO$_{3}$). It is well suited for materials with a strong component of ionic binding and especially for "ionic" metals. In particular, the giant phonon anomalies related to the breathing vibration of the oxygen as found experimentally in superconducting doped Ba$_{0.6}$K$_{0.4}$BiO$_{3}$, resembling those observed in the high $T_{c}$ cuprates, are investigated. The origin of these anomalies is explored and attributed to a strong nonlocal coupling of the displaced oxygen ions to CF's of ionic type, essentially of the Bi6s- and Bi6p orbital. This points to the importance of both of these states at the Fermi energy. Starting from an ab-initio rigid ion model (RIM) we calculate the effect on the lattice dynamics and charge response of the most important electronic polarization processes in the material, i.e. CF's and dipole fluctuations (DF's). Taking into account these electronic degrees of freedom in linear response theory, we obtain a good agreement with the measured phonon dispersion and in particular with the strong phonon anomalies.Comment: Additional comparison with the cuprate HTSC's. A slightly shorter version has been published in PR

Modeling of the electronic state of the High-Temperature Superconductor LaCuO: Phonon dynamics and charge response

A modeling of the normal state of the p-doped high-temperature superconductors (HTSC's) is presented. This is achieved starting from a more conventional metallic phase for optimal- and overdoping and passing via the underdoped to the insulating state by consecutive orbital selective compressibility-incompressibility transitions in terms of sum rules for the charge response. The modeling is substantiated by corresponding phonon calculations. Extending investigations of the full dispersion and in particular of the strongly doping dependent anomalous phonon modes in LaCuO, which so far underpin our treatment of the density response of the electrons in the p-doped HTSC's, gives additional support for the modeling of the electronic state, compares well with recent experimental data and predicts the dispersion for the overdoped regime. Moreover, phonon densities of states have been calculated and compared for the insulating, underdoped, optimally doped and overdoped state of LaCuO. From our modeling of the normal state a consistent picture of the superconducting phase also can be extracted qualitatively pointing in the underdoped regime to a phase ordering transition. On the other hand, the modeling of the optimal and overdoped state is consistent with a quasi-particle picture with a well defined Fermi surface. Thus, in the latter case a Fermi surface instability with an evolution of pairs of well defined quasiparticles is possible and can lead to a BCS-type ordering. So, it is tempting to speculate that optimal $T_C$ in the HTSC's marks a crossover region between these two forms of ordering.Comment: 18 RevTex pages, 10 figures, revised version, references updated, accepted for publication in Physical Review

Microscopic calculation of the phonon dynamics of Sr2_{2}RuO4_{4} compared with La2_{2}CuO4_{4}

The phonon dynamics of the low-temperature superconductor Sr$_{2}$RuO$_{4}$ is calculated quantitatively in linear response theory and compared with the structurally isomorphic high-temperature superconductor La$_{2}$CuO$_{4}$. Our calculation corrects for a typical deficit of LDA-based calculations which always predict a too large electronic $k_{z}$-dispersion insufficient to describe the c-axis response in the real materials. With a more realistic computation of the electronic band structure the frequency and wavevector dependent irreducible polarization part of the density response function is determined and used for adiabatic and nonadiabatic phonon calculations. Our analysis for Sr$_{2}$RuO$_{4}$ reveals important differences from the lattice dynamics of $p$- and $n$-doped cuprates. Consistent with experimental evidence from inelastic neutron scattering the anomalous doping related softening of the strongly coupling high-frequency oxygen bond-stretching modes (OBSM) which is generic for the cuprate superconductors is largely suppressed or completely absent, respectively, depending on the actual value of the on-site Coulomb repulsion of the Ru4d orbitals. Also the presence of a characteristic $\Lambda_{1}$-mode with a very steep dispersion coupling strongly with the electrons is missing in Sr$_{2}$RuO$_{4}$. Moreover, we evaluate the possibility of a phonon-plasmon scenario for Sr$_{2}$RuO$_{4}$ which has been shown recently to be realistic for La$_{2}$CuO$_{4}$. In contrast to La$_{2}$CuO$_{4}$ in Sr$_{2}$RuO$_{4}$ the very low lying plasmons are overdamped along the c-axis.Comment: 30 pages, 16 figures, 4 tables, 33 reference

Dynamic charge inhomogenity in cuprate superconductors

The inelastic x-ray scattering spectrum for phonons of $\Delta_{1}$-symmetry including the CuO bond-stretching phonon dispersion is analyzed by a Lorentz fit in HgBa$_{2}$CuO$_{4}$ and Bi$_{2}$Sr$_{2}$CuO$_{6}$, respectively, using recently calculated phonon frequencies as input parameters. The resulting mode frequencies of the fit are almost all in good agreement with the calculated data. An exception is the second highest $\Delta_{1}$-branch compromising the bond-stretching modes which disagrees in both compounds with the calculations. This branch unlike the calculations shows an anomalous softening with a minimum around the wavevector \vc{q}=\frac{2\pi}{a}(0.25, 0, 0). Such a disparity with the calculated results, that are based on the assumption of an undisturbed translation- and point group invariant electronic structure of the CuO plane, indicates some {\it static} charge inhomogenities in the measured probes. Most likely these will be charge stripes along the CuO bonds which have the strongest coupling to certain longitudinal bond-stretching modes that in turn selfconsistently induce corresponding {\it dynamic} charge inhomogenities. The symmetry breaking by the mix of dynamic and static charge inhomogenities can lead to a reconstruction of the Fermi surface into small pockets.Comment: 7 pages, 4 figure