کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1622042 1516392 2009 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Volume effect and electron band modification in α-Fe by substitutional impurities
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
Volume effect and electron band modification in α-Fe by substitutional impurities
چکیده انگلیسی

Systematic investigation of the various impurities influence on the electron and electron spin density on the iron nucleus has been undertaken for impurities dissolved randomly on the regular iron sites in the ferromagnetic BCC iron. The average electron and spin density on the iron nucleus is affected by the volume effect caused by solution of the impurity and by the conduction band modification due to the same impurity. It was attempted to correct data for the volume effect by using information obtained by ab initio calculations of the hyperfine field B and electron density ρ in pure iron versus varying lattice constant a  . It was found that ∂B/∂a=33(3) T A˙−1 and ∂ρ/∂a=−5.2(1) el. a.u.−3 A˙−1. Mössbauer data were used to evaluate hyperfine parameters versus particular impurity concentration c, while the corresponding lattice constant evolution was obtained from the X-ray diffraction data. Hence, it was possible to make volume correction by using above slopes obtained in calculations. It was found that for all d impurities one has the linear correlation between volume corrected hyperfine field variation (dB/dc)b and corresponding electron density variation (dρ/dc)b. The slope for the above correlation amounts to (∂ρ/∂B)b = −0.031(3) el. a.u.−3 T−1. A linear correlation between the out of the core electrons Ne of the impurity and electron density on the iron nucleus was found with the slope −0.0038(7) a.u.−3 at.%−1 for all d impurities and −0.0072(3) a.u.−3 at.%−1 for the s–p impurities of the fourth period.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 485, Issues 1–2, 19 October 2009, Pages 36–40
نویسندگان
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