کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1516000 1511544 2013 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Experimental Compton profiles of Be, Al and Ti and comparisons to generalized gradient approximation calculations
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Experimental Compton profiles of Be, Al and Ti and comparisons to generalized gradient approximation calculations
چکیده انگلیسی

Experimental analysis of isotropic Compton profiles for beryllium, aluminum and titanium was performed to assess the radial core wavefunctions and pseudo-orbitals for valence electrons generated using a generalized gradient approximation based on norm-conserving pseudo-potential calculations. Compton profiles for the different core and valence electron shells are presented in tabulated electron momentum transfer values from q=0 to 9 a.u. Derivatives of the Compton profiles were also calculated to identify the Fermi momenta. Comparison of our results to previous experimental and theoretical calculations shows acceptable agreement in most cases. Our findings indicate that the Compton profiles for Be, Al and Ti are reasonably well described within the generalized gradient approximation.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 74, Issue 10, October 2013, Pages 1341–1348
نویسندگان
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