Journal of the Physical Society of Japan
Online ISSN : 1347-4073
Print ISSN : 0031-9015
ISSN-L : 0031-9015
Copper K and Oxygen K Resonant Inelastic X-ray Scattering of One-Dimensional Cuprates
Kozo OkadaAkio Kotani
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2006 Volume 75 Issue 4 Pages 044702


Resonant inelastic X-ray scattering (RIXS) using the Cu K shell of one-dimensional cuprates is compared with that using the O K shell on the basis of numerically-exact diagonalization calculations applied for a finite-size cluster model. Particular attention is paid to the effects of Cu 3d orbital degeneracy on the Cu K RIXS and the incident photon energy dependence of the Cu K RIXS. Inclusion of the Cu 3d(3z2r2) orbital results in the dd excitation in the Cu K RIXS, which is in accordance with the O K RIXS. However the excitation mechanism differs for the Cu K RIXS and O K RIXS. The dd excitation in the Cu K RIXS is caused through the mixing between the Zhang–Rice singlet (ZRS) and Cu 3d(3z2r2) bands, while it is mainly caused by the optical dipole transition process in the case of O K RIXS. Moreover, mixing between the ZRS and Cu 3d(3z2r2) bands induces new structures, whose binding energy is higher than that of the structure due to electron–hole pair excitations from the ZRS band to the upper Hubbard band. The angle-resolved photoemission calculation confirms that the mixing between the Cu 3d(3z2r2) and ZRS bands is appreciable around the Brillouin zone center in the case of corner-share-type crystal structure.

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© The Physical Society of Japan 2006
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