Analysis of resonant inelastic x-ray scattering from Sr${}_2$IrO${}_4$ in an itinerant-electron approach

Abstract

We analyze the resonant x-ray scattering (RIXS) spectra from Sr${}_2$IrO${}_4$ in an itinerant electron approach. Employing a multi-orbital tight-binding model on the square lattice, we calculate the one-electron energy band within the Hartree-Fock approximation, which leads to an antiferromagnetic ground state. We then evaluate the two-particle Green's functions for the particle-hole pair excitations within the random phase approximation, which are connected to the RIXS spectra within the fast collision approximation. The calculated RIXS spectra exhibit two-peak structure with slightly different energies in the low-energy region, which are originated from the bound states in the two-particle Green's function. They may be interpreted as the split modes of magnon. We also obtain several $\delta$-function peaks, which arise from the bound states around the bottom of energy continuum. They may be called as the exciton modes. These characteristics are in qualitative agreement with the RIXS experiment, demonstrating that the weak coupling theory could explain both the magnon and the exciton peaks in the RIXS spectra on an equal footing.

arXiv comment10 pages, 5 figures, revtex, to be published in Physical Review B

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• Direct detection of dimer orbitals in Ba${}_5$AlIr${}_2$O${}_{11}$
• Thermoelectric behavior of Ruddlesden-Popper series iridates
• Non-local Coulomb correlations in pure and electron-doped ${\mathrm{Sr}}_2{\mathrm{IrO}}_4$: spectral functions, Fermi surface and pseudogap-like spectral weight distributions from oriented cluster dynamical mean field theory
• Magnetic excitations in a three-orbital model for the strongly spin-orbit coupled iridates: Effect of mixing between the J=1/2 and 3/2 sectors
• Correlated motion of particle-hole excitations across the renormalized spin-orbit gap in $\mathrm{S}{\mathrm{r}}_2\mathrm{Ir}{\mathrm{O}}_4$
• Superconducting pairing in resonant inelastic X-ray scattering
• Pseudo-spin rotation symmetry breaking by Coulomb interaction terms in spin-orbit coupled systems
• Collective mode excitations and simulated $L$-edge resonant-inelastic x-ray scattering spectra in antiferromagnetic Ca${}_2$RuO${}_4$