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.

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

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