کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7920162 | 1511487 | 2018 | 21 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Magneto-electronic and thermoelectric properties of some Fe-based Heusler alloys
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
We present electronic, magnetic and transport properties of some 24-valence-electron semiconducting Heusler alloys obtained by first principles and use of Boltzmann theory. The spin-resolved electronic structures show that the materials are semiconductors in both spin channels and that they follow the ZT â 24 Slater-Pauling rule in the Fm3¯m phase. In Fe2TiSi, Fe2TiGe and Fe2ZrSi, the shape and size of the band gap is mainly determined by d-d hybridization between the d-states of transition metal atoms Ti (Zr) and Fe. Decreasing covalent character in bonding is observed when Y and Z atoms are replaced by the corresponding atoms lower in the group. The transport properties predict the materials to have p-type character, with electrical conductivity and the Seebeck coefficient having a semiconductor-like nature in all three compounds studied. The large Seebeck coefficients at room temperature strongly support the possible application of these materials as thermoelectric materials.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Physics and Chemistry of Solids - Volume 119, August 2018, Pages 251-257
Journal: Journal of Physics and Chemistry of Solids - Volume 119, August 2018, Pages 251-257
نویسندگان
Idris Hamid Bhat, Tahir Mohiuddin Bhat, Dinesh C. Gupta,