STRUCTURE OF THE X-RAY-EMISSION CUL-ALPHA-LINE IN YBA2CU3O7-DELTA ANDCUO BASED ON THE SCF X-ALPHA-SW CALCULATION

Citation
Es. Fomin et Vv. Murakhtanov, STRUCTURE OF THE X-RAY-EMISSION CUL-ALPHA-LINE IN YBA2CU3O7-DELTA ANDCUO BASED ON THE SCF X-ALPHA-SW CALCULATION, Journal of structural chemistry, 34(4), 1993, pp. 491-496
Citations number
22
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
ISSN journal
00224766
Volume
34
Issue
4
Year of publication
1993
Pages
491 - 496
Database
ISI
SICI code
0022-4766(1993)34:4<491:SOTXCI>2.0.ZU;2-W
Abstract
Using the SCF Xalpha-SW method we have calculated the final states of the X-ray Lalpha-transition of the CuO46- cluster modeling the nearest environment of the copper atom (one of two types) in YBa2Cu3O7-delta and the nearest environment of copper in CuO. The energies of transiti ons forming the Lalpha-spectrum (with or without many-electron excitat ions) have been calculated. It has been shown that for interpretation of the main singularities of the X-ray emission Lalpha-spectrum, not o nly should the Coster-Kronig transitions be considered but also the sh ake-up excitation 2b1g --> 3b1g processes and the multiple ionization satellites 3p-1. An experimental scheme has been suggested that allows separation of the effects of different many-electron processes on the Lalpha-spectrum.