The strong electron correlation effects in XAFS spectra of HTSC cuprates

P. V. Avramov; S. G. Ovchinnikov

doi:10.1051/jp4/1997158

The strong electron correlation effects in XAFS spectra of HTSC cuprates

P. V. Avramov, S. G. Ovchinnikov

RAS - Kirensky Institute of Physics, Siberian Branch

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Abstract

Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-electron part obtained by the SCF Xα- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. The main line of CuK-spectrum 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 CuL_2,3- spectra of two-hole impurity states of doped CuO₄ cell. Another interesting future of CuL_2,3- 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.

Original language	English
Pages (from-to)	C2-183-C2-185
Journal	Journal De Physique. IV : JP
Volume	7
Issue number	2 Part 1
DOIs	https://doi.org/10.1051/jp4/1997158
State	Published - 1997

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title = "The strong electron correlation effects in XAFS spectra of HTSC cuprates",

abstract = "Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-electron part obtained by the SCF Xα- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. The main line of CuK-spectrum 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.",

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T1 - The strong electron correlation effects in XAFS spectra of HTSC cuprates

AU - Avramov, P. V.

AU - Ovchinnikov, S. G.

PY - 1997

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N2 - Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-electron part obtained by the SCF Xα- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. The main line of CuK-spectrum 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.

AB - Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-electron part obtained by the SCF Xα- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. The main line of CuK-spectrum 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.

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The strong electron correlation effects in XAFS spectra of HTSC cuprates

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