کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5425206 1395850 2007 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Density of states and the problem of Sm valence
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Density of states and the problem of Sm valence
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 601, Issue 4, 15 February 2007, Pages 1001-1007
نویسندگان
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