Theory of X-Ray Absorption Spectra of Strongly Correlated Copper Oxides Full article
Journal |
Physica C: Superconductivity and its Applications
ISSN: 0921-4534 , E-ISSN: 1873-2143 |
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Output data | Year: 1997, Volume: 278, Number: 1-2, Pages: 94-106 Pages count : 13 DOI: 10.1016/S0921-4534(97)00086-5 | ||||
Tags | Electron correlations, p-d model, X-ray absorption spectra | ||||
Authors |
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Affiliations |
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Funding (2)
1 | Government of the Russian Federation | 95027 |
2 | Красноярский краевой фонд поддержки научной и научно-технической деятельности | 5F0009 |
Abstract:
It has been shown that theoretical X-ray absorption spectra of highly correlated systems can be presented as a product of a single-electron part obtained by the self-consistent field Xα-scattered wave (SCFXα-SW) method, and of a multi-electron part obtained by exact diagonalization of the Hamiltonian of the multi-band multi-electron p-d model. Using that model, the influence of strong correlation effects on the Cu K- and CuL2,3-spectra of La2−xSrxCuO4 (x = 0, 0.2, 1) has been studied. In terms of that model, the main peak of the Cu K-spectrum for x = 0 was assigned to the Cud10L-configuration and only one satellite was assigned to the Cud9-configuration. Comparison of the theoretical with the experimental data shows that the ground state of the two-holes in the CuO4 cell is triplet. In that case additional satellites of Cud9L- and Cud8-configurations are observed. The same conclusions have been made concerning polarized CuL2,3-spectra for the fully doped LaSrCuO4 excluding the peak with the energy 2.8 eV above the threshold, which was assigned to the transitions into quasi-stationary states due to existence of a high barrier in the Cud-state Hartree-Fock potential.
Cite:
Avramov P.V.
, Ovchinnikov S.G.
, Gavrichkov V.A.
, Ruzankin S.P.
Theory of X-Ray Absorption Spectra of Strongly Correlated Copper Oxides
Physica C: Superconductivity and its Applications. 1997. V.278. N1-2. P.94-106. DOI: 10.1016/S0921-4534(97)00086-5 WOS Scopus РИНЦ
Theory of X-Ray Absorption Spectra of Strongly Correlated Copper Oxides
Physica C: Superconductivity and its Applications. 1997. V.278. N1-2. P.94-106. DOI: 10.1016/S0921-4534(97)00086-5 WOS Scopus РИНЦ
Dates:
Submitted: | Jan 27, 1997 |
Published print: | Apr 20, 1997 |
Published online: | May 19, 1998 |
Identifiers:
Web of science | WOS:A1997XB79300013 |
Scopus | 2-s2.0-0031117023 |
Elibrary | 13259116 |
Chemical Abstracts | 1997:343972 |
Chemical Abstracts (print) | 127:115784 |
OpenAlex | W2005731523 |