Abstract
Using the SCF Xα-SW method we have calculated the final states of the X-ray Lα-transition of the CuO −64 cluster modeling the nearest environment of the copper atom (one of two types) in YBa2Cu3O7-δ and the nearest environment of copper in CuO. The energies of transitions forming the Lα-spectrum (with or without many-electron excitations) have been calculated. It has been shown that for interpretation of the main singularities of the X-ray emission Lα-spectrum, not only should the Coster-Kronig transitions be considered but also the shake-up excitation 2b1g→3b1g processes and the multiple ionization satellites 3p−1. An experimental schame has been suggested that allows separation of the effects of different many-electron processes on the Lα-spectrum.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
G. Van der Laan, C. Westra, C. Haas, and G. A. Sawatzky,Phys. Rev. B,23, 4369–4380 (1981).
J. Ghijsen, L. N. Tjeng, J. van Elp, et al.,Phys. Rev. B,38, 11322–11330 (1988).
R. V. Vedrinsky, S. A. Prosandeev, I. I. Gegusin, and Yu. A. Teterin,Koordinats. Khim.,6, No. 9, 1372–1380 (1980).
S. Thomas, P. M. A. Sherwood, N. Singh, et al.,Phys. Rev. B,39, No. 10, 6640–6651 (1989).
M. S. Osadchy, V. V. Murakhtanov, E. S. Fomin, and L. N. Mazalov,Zh. Éksp. Teor. Fiz.,101, No. 4, 1259–1269 (1992).
M. S. Osadchy, V. V. Murakhtanov, E. S. Fomin, and L. N. Mazalov,Zh. Struk. Khim.,33, No. 4, 14–22 (1992).
D. L. Novikov, M. V. Ryzhkov, and V. A. Gubanov,Zh. Struk. Khim.,30, No. 5, 12–20 (1989).
D. L. Novikov, A. L. Ivanovsky, and V. A. Gubanov,Fiz. Met. Metalloved.,64, 195–198 (1987).
M. V. Ryzhkov, D. L. Novikov, and V. A. Gubanov,Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim. Nauk, No. 5, 46–51 (1988).
K. N. Johnson, M. E. McHenry, C. Counterman, et al., in:International Workshop on Novel Mechanisms of Superconductivity, Berkeley, (1987), pp. 267–280.
R. L. Mattheiss and D. R. Hamman,Sol. State Comm.,63, No. 5, 395–399 (1987).
S. Massidda, J. Yu, A. J. Freeman, and D. D. Koelling,Phys. Lett. A,122, No. 3-4, 198–202 (1987).
J. Yu, S. Massidda, A. F. Freeman, and D. D. Koelling ibid.,122, No. 3-4, (1987), 203–208.
N. Wassdahl, J.-E. Rubensson, G. Bray, et al.,Soft X-ray Emission Spectra of High-T c Superconductors Excited by Monochromatized Synchrotron Radiation, UUIP, 1177 (1987).
V. Barnole, J.-M. Mariot, C. F. Hague, et al.,Phys. Rev. B,41, No. 7, 4262–4270 (1990).
L. N. Mazalov, S. B. Erenburg, I. P. Asanov, et al.,Izv. Sib. Otd. Akad. Nauk SSSR, Ser. Khim.,5, No. 17, 39–45 (1988).
V. I. Anisimov, V. R. Galakhov, E. Z. Kurmaev, et al.,Fiz. Met. Metalloved.,65, No. 1, 207–208 (1988).
I. I. Nemoshkalenko, V. N. Uvarov, A. A. Ereshchenko, et al.,Sverkhprovodimost,3, No. 5, 857–867 (1990).
D. L. Ederer, L. K. Caufield, T. A. Callot, et al.,Proc. Soc. Photo-Opt. Instrum. Eng.,911, 75–79 (1988).
V. N. Antonov, Vl. N. Antonov, V. G. Baryakhtar, et al.,Fiz. Nizk. Temp.,15, No. 14, 389–396 (1989).
A. V. Kondratenko and K. M. Neiman,Quantum Chemistry and Spectroscopy of Highly Excited States. Coordination Compounds of Transition Metals [in Russian], Nauka, Novosibirsk (1990).
V. V. Murakhtanov, M. S. Osadchy, E. S. Fomin, and Yu. N. Mordvintsev,Sverkhprovodimost,4, No. 6, 1088–1092 (1991).
Additional information
Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 34, No. 4, pp. 3–9, July–August, 1993.
Translated by L. Smolina
Rights and permissions
About this article
Cite this article
Fomin, E.S., Murakhtanov, V.V. Structure of the X-ray emission CuLα-line in YBa2Cu3O7−δ and CuO based on the SCFXα-SW calculation. J Struct Chem 34, 491–496 (1994). https://doi.org/10.1007/BF00753514
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF00753514