Takashi Imamichi, Hidetoshi Numata, et al.
WSC 2011
We theoretically study polarization and momentum-transfer dependence in Cu 4pσ-1s resonant X-ray emission spectra (RXES) of Nd2CuO4 with exact diagonalization techniques, developing our previous report [T. Idé and A. Kotani, J. Phys. Soc. Jpn. 68 (3999) 3100]. We explain the experimental polarization and angular dependence of a charge-transfer excitation about 5.7 eV above the ground state. Comparing results calculated with single- and multi-Cu models, we confirm the essential contribution of the nonlocal screening effect in Cu 4pσ-1s RXES, together with the configuration dependence of d-p hybridization. We predict considerable dependence of a CT excitation at about 2 eV on momentum transfer along the CuO2 planes, and the 5.7 eV excitation has less dependence.
Takashi Imamichi, Hidetoshi Numata, et al.
WSC 2011
Tsuyoshi Idé, Akio Kotani
Journal of the Physical Society of Japan
Tsuyoshi Idé
ICDM 2018
Tsuyoshi Idé, Keisuke Inoue
SDM 2005