Microscopic calculation of the phonon dynamics of Sr$_{2}$RuO$_{4}$ compared with La$_{2}$CuO$_{4}$
Abstract
The phonon dynamics of the low-temperature superconductor SrRuO is calculated quantitatively in linear response theory and compared with the structurally isomorphic high-temperature superconductor LaCuO. Our calculation corrects for a typical deficit of LDA-based calculations which always predict a too large electronic -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 SrRuO reveals important differences from the lattice dynamics of - and -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 -mode with a very steep dispersion coupling strongly with the electrons is missing in SrRuO. Moreover, we evaluate the possibility of a phonon-plasmon scenario for SrRuO which has been shown recently to be realistic for LaCuO. In contrast to LaCuO in SrRuO the very low lying plasmons are overdamped along the c-axis.
Keywords
Cite
@article{arxiv.0906.0692,
title = {Microscopic calculation of the phonon dynamics of Sr$_{2}$RuO$_{4}$ compared with La$_{2}$CuO$_{4}$},
author = {Thomas Bauer and Claus Falter},
journal= {arXiv preprint arXiv:0906.0692},
year = {2009}
}
Comments
30 pages, 16 figures, 4 tables, 33 references