Core level spectroscopy: XPS, XAS, EELS, XES (XSPEC ... - WIEN 2k

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Ti L 2,3 in rutile-TiO 2 , anatase-TiO 2 , SrTiO 3 L 3 L 2 t 2g e g ● The experimental Ti L 2,3 edges are rather well reproduced. ● intensity ratio L 3 /L 2 (not 2:1) ● „t 2g /e g “ ratio (not 3:2) ● left/right shoulder in L 3 -„e g “ peak of rutile/anatase
Ti L 2,3 in SrTiO 3 , decomposition of є 2 Decomposition into excitations from p 1/2 and p 3/2 L 3 L 2 e g cross term suppresses the L 3 branch and enhances the L 2 Decomposition into excitation into the e g and t 2g bands the first peak of L 2 or L 3 is related to excitations into t 2g , the second peak is associated with e g the cross term strongly modifies the ratio between these peaks t 2g Sr Ti O
Page 1 and 2: Core level spectroscopy: XPS, XAS,
Page 3 and 4: XAS (XANES), EELS (ELNES), XES: •
Page 5 and 6: Difference between EELS and XAS
Page 7 and 8: dipole approximation (TELNES3 can a
Page 9 and 10: Treating the core hole within WIEN2
Page 11 and 12: XAS / TELNES in WIEN2k define your
Page 13 and 14: TELNES3 task
Page 15 and 16: • aaa Angle dependency of B-K edg
Page 17 and 18: L 2,3 spectra: failure of the singl
Page 19 and 20: fully relativistic electron-hole in
Page 21: L 2,3 edge for Ca in CaF 2 L 3 L 2
Page 25 and 26: fcc Ca, L 2,3 edge L 3 L 2 L 2 L 3

Core level spectroscopy: XPS, XAS, EELS, XES (XSPEC ... - WIEN 2k

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