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

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Partial core hole screening in the Cu L 3 edge • J.Luitz et al., Eur. Phys. J. B 21, 363{367 (2001) 0.5e corehole experiment without corehole with corehole Unexpected effect of core-hole !
L 2,3 spectra: failure of the single particle approach • In particular early 3d TM-compounds show a • non-standard L 2 /L 3 branching ratio (1:2) • sometimes a completely different lineshape (TiO 2 ) • „wrong“ SOC or CF splittings • rutile TiO 2 CaF 2 L 3 L 2 soc exp. CF exp. ground state calc. core-hole calc.
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: • aaa Angle dependency of B-K edg
Page 19 and 20: fully relativistic electron-hole in
Page 21 and 22: L 2,3 edge for Ca in CaF 2 L 3 L 2
Page 23 and 24: Ti L 2,3 in SrTiO 3 , decomposition
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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