کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8152710 | 1524758 | 2018 | 24 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Tuning the topological nontrivial nature in a family of alkali-metal-based inverse Heusler compounds: A first-principles study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Tuning the topological nontrivial nature in a family of alkali-metal-based inverse Heusler compounds: A first-principles study Tuning the topological nontrivial nature in a family of alkali-metal-based inverse Heusler compounds: A first-principles study](/preview/png/8152710.png)
چکیده انگلیسی
Based on the first-principles calculations, the total energy and electronic structures of some new inverse Heusler-based ternary intermetallic compounds X2YZ (Xâ¯=â¯alkali metals: Li, Na, K, Rb; Yâ¯=â¯Ag, Pd, Cu; Zâ¯=â¯Sb, Te, As) have been investigated in detail. Our results reveal that most of them are stable in inverse Heusler structure and naturally exhibit band-inversion nature without the effect of spin-orbit coupling (SOC). That is to say, most of our studied compounds are newly designed topological semi-metals. We also study the effects of the uniform strain and the spin-orbit coupling on the band inversion. Moreover, for our predicted compounds, all of them have a negative formation energy, which makes them possible in material growth.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 463, 1 October 2018, Pages 44-49
Journal: Journal of Magnetism and Magnetic Materials - Volume 463, 1 October 2018, Pages 44-49
نویسندگان
Tingzhou Li, Yang Wu, Yilin Han, Xiaotian Wang,