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Publication Citation: Core Level Shifts in the 3d Transition Metals and Tin

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Author(s): R E. Watson; M L. Perlman; J F. Herbst;
Title: Core Level Shifts in the 3d Transition Metals and Tin
Published: March 15, 1976
Abstract: We present estimates of various contributions to the free-atom-metal binding-energy shifts, {Δ}EB, for the 2>s and 2p core levels of teh iron series elements and, for comparison, the 3 ds/2 level of Sn. Our results indicate that the sharp break in the experimental {Δ}EB values occurring between Ni and Cu is due to variation in configuration differences, attributed the break in {Δ} EB to a change in extra-atomic screening. Through free-atom calculations, we find extra-atomic screening energies of 6-8 eV for Ti through Zn, with no break between Ni and Cu, and ~ 10 eV for Sn. In conjunction with charge-renormalization and dipole-term estimates, these results suggest that intra-atomic screening of core holes in metals is an important factor influencing free-atom-metal binding-energy shifts.
Citation: Physical Review B (Condensed Matter and Materials Physics)
Volume: 13
Issue: 6
Pages: pp. 2358 - 2365
Research Areas: Condensed Matter Physics