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Incident-energy and polarization dependent RIXS study of La2CuO4

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 Added by Jason Hancock
 Publication date 2006
  fields Physics
and research's language is English




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We present a detailed Cu K-edge resonant inelastic X-ray scattering (RIXS) study of the Mott insulator La2CuO4 in the 1-7 eV energy transfer range. As initially found for the high-temperature superconductor HgBa2CuO4+d, the spectra exhibit a multiplet of weakly-dispersive electron-hole excitations, which are revealed by utilizing the subtle dependence of the cross section on the incident photon energy. The close similarity between the fine structures for in-plane and out-of-plane polarizations is indicative of the central role played by the 1s core hole in inducing charge excitations within the CuO2 planes. On the other hand, we observe a polarization dependence of the spectral weight, and careful analysis reveals two separate features near 2 eV that may be related to different charge-transfer processes. The polarization dependence indicates that the 4p electrons contribute significantly to the RIXS cross section. Third-order perturbation arguments and a shake-up of valence excitations are then applied to account for the final-energy resonance in the spectra. As an alternative scenario, we discuss fluorescence-like emission processes due to 1s -> 4p transitions into a narrow continuum 4p band.



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We present a detailed analysis of the incident-photon-energy and polarization dependences of the resonant inelastic x-ray scattering (RIXS) spectra at the Cu $K$ edge in La$_{2}$CuO$_{4}$. Our analysis is based on the formula developed by Nomura and Igarashi, which describes the spectra by a product of an incident-photon-dependent factor and a density-density correlation function for 3d states. We calculate the former factor using the $4p$ density of states from an ab initio band structure calculation and the latter using a multiorbital tight-binding model within the Hartree-Fock approximation and the random phase approximation. We obtain spectra with rich structures in the energy-loss range 2-5 eV, which vary with varying momentum and incident-photon energy, in semi-quantitative agreement with recent experiments. We clarify the origin of such changes as a combined effect of the incident-photon-dependent factor and the density-density correlation function.
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