J. Phys. IV France 7 (1997) C2-183-C2-185
The Strong Electron Correlation Effects in XAFS Spectra of HTSC CupratesP.V. Avramov and S.G. Ovchinnikov
L. V. Kirenskii Institute of Physics, Siberian Branch of Russian Academy of Sciences, Krasnoyarsk 660036, Russia
Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-election part obtained by the SCF Xα- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. Trie main line of CuK-spectram of La2CuO4 was aligned to the Cud10 L - configuration and the single satellite line was aligned to the Cud9. Comparison of the theoretical data with the experimental ones shows that the ground state of the two-holes in the CuO4 doped cell is triplet. The last conclusion has been confirmed by analysis of CuL2,3- spectra of two-hole impurity states of doped CuO4 cell. Another interesting future of CuL2,3- spectra - a peak 2.8 eV higher the threshold was aligned to the transitions into quasi-stationary states due to existence of a high barrier in the Cud- state potential.
© EDP Sciences 1997