Unraveling the Nature of Charge Excitations in La${}_2$CuO${}_4$ with Momentum-Resolved Cu $K$-edge Resonant Inelastic X-ray Scattering

Abstract

Results of model calculations using exact diagonalization reveal the orbital character of states associated with different Raman loss peaks in Cu $K$-edge resonant inelastic X-ray scattering (RIXS) from La${}_2$CuO${}_4$. The model includes electronic orbitals necessary to highlight non-local Zhang-Rice singlet, charge transfer and $d$-$d$ excitations, as well as states with apical oxygen 2$p_z$ character. The dispersion of these excitations is discussed with prospects for resonant final state wave-function mapping. A good agreement with experiments emphasizes the substantial multi-orbital character of RIXS profiles in the energy transfer range 1-6 eV.

Original: 4.5 pages. Replaced: 4 pages and 4 figures with updated content and references

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• Nonequilibrium RIXS study of an electron-phonon model
• Orbitally Selective Resonant Photodoping to Enhance Superconductivity
• Signatures of multiple charge excitations in RIXS spectra of metals
• CleaRIXS: A Fast and Accurate First-Principles Method for Simulation and Analysis of Resonant Inelastic X-ray Scattering
• Numerical study of resonant inelastic X-ray scattering at the oxygen $K$-edge in insulating cuprates
• Computing local multipoint correlators using the numerical renormalization group
• Nonequilibrium-DMFT based RIXS investigation of the two-orbital Hubbard model
• Precise dd excitations and commensurate intersite Coulomb interactions in the dissimilar cuprate YBa_2Cu_3O_(7-x) and La_(2-x)Sr_xCuO_4
• Accelerating Resonant Spectroscopy Simulations Using Multi-Shifted Bi-Conjugate Gradient