کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7961648 | 1513931 | 2013 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
On the role of lanthanum substitution defects in reducing lattice thermal conductivity of the AgSbTe2 (P4/mmm) thermoelectric compound for energy conversion applications
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We perform lattice dynamics first-principles calculations for the technologically-important AgSbTe2 thermoelectric compound. Based on its calculated vibrational density-of-states, we hypothesize that the formation of substitution defects at the Ag-sublattice sites will impede lattice vibrations, thereby reducing the lattice thermal conductivity. Further calculations performed for a La0.125Ag0.875SbTe2 compound indicate significant reduction of the average sound velocity from 1727 to 1046 m sâ1 due to La-doping. This corresponds to an estimated decrease of lattice thermal conductivity by a factor of 2.7, which is expected to yield a significant improvement to the thermoelectric figure of merit for LaxAg1âxSbTe2-based materials up to values larger than 3.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 78, October 2013, Pages 98-103
Journal: Computational Materials Science - Volume 78, October 2013, Pages 98-103
نویسندگان
Yaron Amouyal,