Abstract
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(3z 2 - r 2) 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(3z 2 - r 2) 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(3z 2 - r 2) 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(3z 2 - r 2) and ZRS bands is appreciable around the Brillouin zone center in the case of corner-share-type crystal structure.
| Original language | English |
|---|---|
| Article number | 044702 |
| Journal | Journal of the Physical Society of Japan |
| Volume | 75 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - Apr 2006 |
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Keywords
- Angle-resolved photoemission
- Charge transfer
- Cuprate
- dp model
- Electron correlation
- Hubbard band
- RIXS
- XAS
- Zhang-Rice singlet
ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Copper K and oxygen K resonant inelastic X-ray scattering of one-dimensional cuprates. / Okada, Kozo; Kotani, Akio.
In: Journal of the Physical Society of Japan, Vol. 75, No. 4, 044702, 04.2006.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Copper K and oxygen K resonant inelastic X-ray scattering of one-dimensional cuprates
AU - Okada, Kozo
AU - Kotani, Akio
PY - 2006/4
Y1 - 2006/4
N2 - 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(3z 2 - r 2) 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(3z 2 - r 2) 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(3z 2 - r 2) 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(3z 2 - r 2) and ZRS bands is appreciable around the Brillouin zone center in the case of corner-share-type crystal structure.
AB - 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(3z 2 - r 2) 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(3z 2 - r 2) 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(3z 2 - r 2) 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(3z 2 - r 2) and ZRS bands is appreciable around the Brillouin zone center in the case of corner-share-type crystal structure.
KW - Angle-resolved photoemission
KW - Charge transfer
KW - Cuprate
KW - dp model
KW - Electron correlation
KW - Hubbard band
KW - RIXS
KW - XAS
KW - Zhang-Rice singlet
UR - http://www.scopus.com/inward/record.url?scp=33645751341&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33645751341&partnerID=8YFLogxK
U2 - 10.1143/JPSJ.75.044702
DO - 10.1143/JPSJ.75.044702
M3 - Article
AN - SCOPUS:33645751341
VL - 75
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
SN - 0031-9015
IS - 4
M1 - 044702
ER -