Interband transitions and electronic Raman continuum in systems with strong inelastic scattering: Applications to YBa2Cu3O7-δ

We consider a model for the electronic Raman continuum which takes into account strong inelastic scattering and interband transitions. Calculations are based on four-vertex Raman scattering diagrams (Kawabata formalism) within the RPA for Coulomb interaction and the ladder diagram Bethe-Salpeter equation for the vertex. We apply this method to an analysis of the nature of the electronic Raman continuum in the normal state of the high-T _c superconductor YBa₂Cu₃O₇. In numerical calculations we take into account all the self-energy effects and make simulations for vertex corrections assuming that inelastic scattering is due to electron-phonon interaction. Theab-plane polarized continuum contains a large contribution from interband processes and does not depend strongly on temperature and inelastic scattering strength. The in-plane anisotropy is determined by interband transitions rather than by anisotropy of the Fermi surface. The ZZ continuum contains only weak contribution from interband transitions. It can be crudely described within a single band model with inelastic scattering and is strongly dependent on the relaxation rates of inelastic scattering. The nature of the oxygen-deficiency dependence of the Raman spectra is also commented upon.     

First-principles calculation of electric field gradients and hyperfine couplings in YBa2Cu3O7

The local electronic structure of YBa₂Cu₃O₇ has been calculated using first-principles cluster methods. Several clusters embedded in an appropriate background potential have been investigated. The electric field gradients at the copper and oxygen sites are determined and compared to previous theoretical calculations and experiments. Spin polarized calculations with different spin multiplicities have enabled a detailed study of the spin density distribution to be made and a simultaneous determination of magnetic hyperfine coupling parameters. The contributions from on-site and transferred hyperfine fields have been disentangled with the conclusion that the transferred spin densities essentially are due to nearest neighbour copper ions only with marginal influence of ions further away. This implies that the variant temperature dependencies of the planar copper and oxygen NMR spin-lattice relaxation rates are only compatible with commensurate antiferromagnetic correlations. The theoretical hyperfine parameters are compared with those derived from experimental data. Received 10 April 2001 and Received in final form 19 June 2001     

Patterning of YBa2Cu3O7-δ films using a near-field optical configuration

2 Cu₃O_7-δ films have been patterned by means of an arrangement employed in scanning near-field optical microscopy (SNOM). Standard SNOM probes were modified to achieve high transmission for direct writing by oxygen depletion in N₂ atmosphere. The written lines are about 1.5 μm wide and show a semiconductor-like resistivity behavior (δ≥0.5). The morphology of illuminated regions is about the same as that of the YBCO films. Received: 3 July 1998/Accepted: 6 July 1998     

Quantum impurities and the neutron resonance peak in YBa2Cu3O7: Ni versus Zn

The influence of magnetic (S=1) and nonmagnetic (S=0) impurities on the spin dynamics of an optimally doped high temperature superconductor is compared in YBa2(Cu0.97Ni0.03)3O7 (Tc=80 K) and YBa2(Cu0.99Zn0.01)3O7 (Tc=78 K). In the Ni-substituted system, the magnetic resonance peak (which is observed at Er approximately 40 meV in the pure system) shifts to lower energy with a preserved Er/Tc ratio while the shift is much smaller upon Zn substitution. By contrast Zn, but not Ni, restores significant spin fluctuations around 40 meV in the normal state. These observations are discussed in the light of models proposed for the magnetic resonance peak.     

Shape of the Cu(2) NQR spectra in YBa2Cu3O7, TmBa2Cu3O7 and TmBa2Cu4O8

We present a study of shape of the Cu(2) NQR spectra in YBa₂Cu₃O₇, TmBa₂Cum₃O₇, and TmBa₂Cu₄O₈ compounds at temperatures of 4.2–300 K. The results of the quantitative analysis lead us to conclude that the shape of the Cu(2) NQR spectra in all the samples studied can be described in the framework of the “motional narrowing” model, which implies that the Cu(2) nucleus possesses two different NQR frequencies between which it can rapidly jump. The difference in frequencies seems to be related to the charge-stripe correlations in CuO₂ planes resulting in a dynamical modulation of the electric field gradients at the Cu(2) nuclei. Pis’ma Zh. éksp. Teor. Fiz. 66, No. 9, 594–598 (10 November 1997)     

Calculated effects of charge fluctuations on the phonon dispersion of YBa2Cu3O6 and YBa2Cu3O7. II. Results

Using the model presented in the preceding paper we investigate the effects of charge fluctuations (CF) on the phonon dispersion of YBa₂Cu₃O₆ (O₆) and YBa₂Cu₃O₇ (O₇). Starting from an ab-initio rigid-ion model as a reference system, CF are allowed for at the copper- and oxygen ions. The CF are treated as adiabatic electronic degrees of freedom. Within the rigid-ion model (RIM) the structural parameters are calculated by minimization of the energy. The results agree reasonably well with the experiment, indicating the suitability of the ionic model as a starting point and the importance of ionic forces for the properties of the high-temperature superconductors (HTSC) in general. Next, the phonon dispersion is calculated in the RIM as well as including CF additionally and the renormalization of the individual modes is discussed. By restricting the CF optionally to the planes, effects arising specifically from CF in the planes on the one hand and from CF in the chain as well as at the axial bridging oxygens (O4) on the other hand can be separated. We find the oxygen axial modes at the γ- and Z point (A_1g/A_2μ in O₆, A_g/B_1μ in O₇) particularly interesting. Most of these modes show considerable renormalizations. Moreover, the γ/Z-axial modes are characterized by the possibility of having CF of the same sign in the whole CuO planes what distinguishes them from the modes at other symmetry points. In particular, the Z-point axial modes are singular in having CF of alternating sign in consecutive structural units in c direction. Such a “c-direction-charge-transfer” has been shown previously to be an effective screening mechanism in La₂CuO₄. Indeed, we find a drastic renormalization of the plane-oxygen A_g mode at the Z point (A_g(O23;Z)) in O₇ (oxygen ions in neighboring planes vibrating in-phase), at least in the adiabatic approximation used here. In the insulating phase this mode exhibits, on the other hand, very large changes of the potential at the ion sites, whereas its renormalization is moderate only. The reason for this behaviour is that in the insulating phase in case of a two-dimensional electronic structure the charge transfer (screening) is restricted locally in the structural unit and long-range charge transfer is not possible as in the metal. However, a strong suppression of screening for this mode can also be expected for the metallic phase in O₇ in case non-adiabatic electron-phonon coupling would be important. The A_g (O23;Z)-mode thus seems to be by far the most interesting mode in O₇. These features are directly related to the layered structure of the HTSC compounds considered here. The O4-axial-breathing modes show significant renormalizations too, and are characterized by plane-chain charge transfer. Moreover, besides the O23- and O4-modes, the yttrium modes appear to be important too. In addition to the phonon-dispersion curves, we present values for the CF amplitudes and screened site-potential changes at the copper-and oxygen ions. Finally, we give transverse effective charges and dielectric constants for the insulating phase (O₆) as calculated within our formalism.     

Ac-Josephson effect in YBa2Cu3O7/YBa2Cu3O7 point contact junctions

The ac-Josephson effect could be demonstrated up to dc voltages of 20 mV on the I–V characteristic of adjustable YBa₂Cu₃O₇/YBa₂Cu₃O₇ point contacts at 4.2 K. A detailed analysis of the rf power dependence of the size of microwave-induced constant voltage steps is given for microwave frequencies of 70 and 90 GHz. The results prove that electron pairing is responsible for the superconductivity in YBa₂Cu₃O₇.     

Raman scattering in organic superconductor (BEDT-TTF)2 I 3: A model study

An interpretation of the Raman data of the organic superconductor (BEDT-TTF)₂ I ₃ is given, based on the modified charge bag model for superconductivity. The Raman intensities are calculated at zero temperature both in the normal as well as the superconducting (SC) states. The scattering due to charge carriers as well as the phonons are taken into account. The results show a constant intensity background which reduces on going from the normal to the superconducting state. Similarly, the loss of intensity, broadening and softening of the frequency of a low lying phonon on going from the normal to the SC state are predicted. All these features are in qualitative agreement with the observed Raman data.     

The superconducting gap and an unidentified 110–190 K phase of YBa2Cu3O7 observed by far-infrared ellipsometry

We have measured the complex dielectric function of pure and Fe-doped YBa₂Cu₃O₇ ceramics, between 10 and 150 cm^–1 and 20 and 300 K, with a far-infrared, rotating-analyzer laser ellipsometer. The superconducting phase transition and the gap energy are clearly observable. The undoped ceramic exhibits remarkable dielectric hysteresis between 110 K and 190 K. This points to a still unidentified phase which we observe to be sensitive to a weak magnetic field.     

Structural study of thin films prepared from tungstate glass matrix by Raman and X-ray absorption spectroscopy

Thin films were prepared using glass precursors obtained in the ternary system NaPO₃BaF₂WO₃ and the binary system NaPO₃WO₃ with high concentrations of WO₃ (above 40% molar). Vitreous samples have been used as a target to prepare thin films. Such films were deposited using the electron beam evaporation method onto soda-lime glass substrates. Several structural characterizations were performed by Raman spectroscopy and X-ray Absorption Near Edge Spectroscopy (XANES) at the tungsten L_I and L_III absorption edges. XANES investigations showed that tungsten atoms are only sixfold coordinated (octahedral WO₆) and that these films are free of tungstate tetrahedral units (WO₄). In addition, Raman spectroscopy allowed identifying a break in the linear phosphate chains as the amount of WO₃ increases and the formation of POW bonds in the films network indicating the intermediary behavior of WO₆ octahedra in the film network. Based on XANES data, we suggested a new attribution of several Raman absorption bands which allowed identifying the presence of WO⁻ and WO terminal bonds and a progressive apparition of WOW bridging bonds for the most WO₃ concentrated samples (above 40% molar) attributed to the formation of WO₆ clusters.     

Calculated effects of charge fluctuations on the phonon dispersion of YBa2Cu3O6 and YBa2Cu3O7. I. The model

In this paper we present a microscopic model that allows us to study the effects of charge fluctuations on the phonon dispersion of the high-temperature superconductor YBa₂Cu₃O₇ and its insulating counterpart, YBa₂Cu₃O₆. An ab-initio rigid-ion model with pair potentials calculated by the Gordon-Kim method from the free-ion charge densities is used as a reference system. Starting from this reference system, charge fluctuations at the copper- and oxygen ions are introduced into the model. The charge fluctuations are treated as adiabatic degrees of freedom in a non-phenomenological way. The parameters entering the model are estimated consistently with the reference system from first principles rather than refering to the experimentally determined phonon dispersion. In addition to the metallic behavior (appropriate to YBa₂Cu₃O₇) obtained in this way, insulating behavior (appropriate to YBa₂Cu₃O₆) is simulated by requiring the polarizability function to fulfill a corresponding long. wavelength sum rule. Screened site-potential changes are defined that (besides the charge fluctuations) constitute a qualitative measure of the electron-phonon-interaction potential. Furthermore we investigate the long-wavelength limiting behavior of the most important quantities occurring in our formalism. We derive formulae that allow us to calculate the contribution of the charge fluctuations to the macroscopic dielectric constant and the transverse effective charges in the insulating phase.     

Smectic vortex phase in optimally doped YBa2Cu3O7 thin films

Angular dependent resistivity measurements of optimally doped YBa2Cu3O7 films in fields H pulsed to 50 T are presented. Up to the highest H, the vortex melting field Hm increases and vortex motion is reduced for H aligned with the correlated pinning centers along the main crystalline axes, otherwise 3D anisotropic scaling describes the vortex dynamics. For H parallel ab, the rapid increase in Hm at low temperatures and a critical exponent analysis near Hm confirm the presence of the liquid-crystalline smectic phase predicted for layered superconductors.