Microscopic calculation of the phonon dynamics of Sr$_{2}$RuO$_{4}$ compared with La$_{2}$CuO$_{4}$

TL;DR

This study uses advanced calculations to compare the phonon dynamics of Sr$_{2}$RuO$_{4}$ with La$_{2}$CuO$_{4}$, revealing key differences in lattice vibrations and electron-phonon interactions relevant to their superconducting properties.

Contribution

It provides a detailed, corrected computational analysis of phonon behavior in Sr$_{2}$RuO$_{4}$, highlighting differences from cuprates and exploring phonon-plasmon interactions.

Findings

Suppressed or absent doping-related phonon softening in Sr$_{2}$RuO$_{4}$

Missing $ ext{Λ}_1$-mode with steep dispersion in Sr$_{2}$RuO$_{4}$

Overdamped low-lying plasmons along the c-axis in Sr$_{2}$RuO$_{4}$

Abstract

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.