Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5425206 | Surface Science | 2007 | 7 Pages |
Abstract
Density of states for Sm metal has been calculated in DFT/GGA approximation using the same treatment for f and s-d bands. It is concluded that the 4f electrons of Sm must be considered as valence electrons, not shallow core states. Therefore the 4f-5d transition cannot change the valence of Sm, which may be characterized (if necessary) by the sum of all electrons in the s-d-f valence bands. The possibility of alternative interpretation of UPS spectra of Sm adsorbed films is illustrated by calculations of DOS (density of states) for oxygen-contaminated Sm crystal.
Related Topics
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Authors
I.N. Yakovkin,