"Unraveling the Nature of Charge Excitations in L2CuO4 with Momentum-Resolved Cu K-Edge Resonant Inelastic X-Ray Scattering"

C.-C. Chen: B. Moritz, F. Vernay, J. N. Hancock, S. Johnston, C. J. Jia, G. Chabot-Couture, M. Greven, I. Elfimov, G. A. Sawatzky, and T. P. Devereaux ; Phys. Rev. Lett., 10/18/10.

Additional Authors: B. Moritz, F. Vernay, J. N. Hancock, S. Johnston, C. J. Jia, G. Chabot-Couture, M. Greven, I. Elfimov, G. A. Sawatzky, and T. P. Devereaux

Abstract:

The 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 La2CuO4. The model includes electronic orbitals necessary to highlight the nonlocal Zhang-Rice singlet, charge transfer, and d-d excitations, as well as states with apical oxygen 2pz 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 multiorbital character of RIXS profiles in the energy transfer range 1–6 eV.