کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8203920 | 1530531 | 2018 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi)
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi) Thermoelectric and topological properties of half-Heusler compounds ZrIrX(As, Sb, Bi)](/preview/png/8203920.png)
چکیده انگلیسی
The strain dependent electronic structures, thermoelectric and topological properties of the half-Heusler compounds ZrIrX(X=As, Sb, Bi) are investigated by the first-principle calculations. At the equilibrium lattice constants, all the three compounds are trivial insulators and good thermoelectric materials with the Seebeck coefficient S and the power factor over relaxation time S2Ï/Ï as large as 1180 (μV/K) and 4.1 (1011Wmâ1Kâ2sâ1), respectively. The compressive strain enhances the band gap, while the tensile strain decreases the band gap. At some specific tensile strains, the compounds become Dirac-semimetals, with the s-type band Î6 below p-type band Î8, in the cubic phase. When we compress the a(b)-axis and elongate the c-axis of the compounds, they become the type-I Weyl semimetals. For ZrIrAs, the eight Weyl-Points (WPS) locate at (± Kx, 0, ± Kz), (0, ± Ky, ± Kz), Kx=Ky=0.008Ã
â1, Kz=0.043Ã
â1.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 382, Issue 9, 9 March 2018, Pages 673-678
Journal: Physics Letters A - Volume 382, Issue 9, 9 March 2018, Pages 673-678
نویسندگان
Minping Zhang, Junhong Wei, Guangtao Wang,