کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10620509 988634 2012 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic structure of Mg2Si by combining electron diffraction and first-principles calculations
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Electronic structure of Mg2Si by combining electron diffraction and first-principles calculations
چکیده انگلیسی
We have used accurate convergent beam electron diffraction to determine the structure factors of the reflections most sensitive to the valence-electron distribution in Mg2Si. The experimental values agree well with calculations of the structure factors based on density functional theory. Based on the experimentally scrutinized electron structure calculations we show that this promising thermoelectric material is highly ionic, arriving at the charge Mg21.45+Si2.9-.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Materialia - Volume 60, Issue 3, February 2012, Pages 972-976
نویسندگان
, , , ,