Atomic Many-Body Effects for thep-Shell Photoelectron Spectra of Transition Metals

Abstract

Atomic many-body effects for the p-shell photoelectron spectra of transition metals Bagus, Paul S.; Broer, Ria; de Jong, W.A. ; Nieuwpoort, W.C.; Parmigiani, F.; Sangaletti, L.

Ligand-field effects for the3pphotoelectron spectra ofCr2O3Bagus1, Ilton2, Rustad3 2004Phys. Rev. BSelf Cite171150View full textAdd to dashboardCite

“…28 The quartet multiplets shown in Table I are the only initial state couplings that can lead to high spin coupled, quintet, 3 p-hole final configurations. 1,3,5 We examine these quintet states in detail to understand how the ligand field splitting dramatically changes the XPS.…”

“…[1][2][3][4][5] These problems need to be resolved in order to use XPS to interpret materials properties 6 including the effective oxidation state of the metal cation. 7 The many-electron atomic contributions for the 2p, 3p, and 3s XPS of 3d TM's have been studied extensively; see, e.g., Refs.…”

Identification of the electronic structure differences between polar isostructural FeO and CoO films by core-level soft x-ray spectroscopy

“…The satellite features observed in 2p XPS spectra of the late TM monoxide compounds have been attributed to charge transfer mechanism, from the ligand to the metal site, and to the multiplet effects 35 , however this approach has been challenged since it neglects the angular momentum coupling of the TM 3d electrons and ionized core levels 36 . The late 3d TM monoxides have shown complex behavior to sudden creation of a core hole, suggesting differences in their VB structures.…”

Nature of electron correlation and hybridization in NixCu1−xMnSb Heusler alloys

“…[14][15][16][17] This is due to the fact that during photoemission a 2p electron is emitted from Mn, leaving behind a hole in the core level. This sudden creation of a core-hole potential at the Mn site during photoexcitation initiates core hole screening which strongly depends on electron correlations and charge transfer (CT) processes.…”

“…ME occurs due to the non-degeneracy arising from vector coupling of angular momenta of overlapping 2p core and 3d valence wave functions. 16,18 Coupling of the 2p 5 3/2 (j = 3/2) and 3d 4 (J = 4) final states gives six levels with J = 11/2, 9/2, 7/2, 5/2, 3/2, 1/2, while 2p 5 1/2 (j = 1/2) and 3d 4 (J = 4) coupling gives five levels with J = 9/2, 7/2, 5/2, 3/2, 1/2. Therefore, including two CT peaks (C1, C2), 8 and 7 peaks were used to fit, respectively, the 2p 3/2 and 2p 1/2 spectra.…”