کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1812083 | 1025607 | 2011 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure
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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: First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure First-principles study of electronic structure of transition metal nitride: ReN under normal and high pressure](/preview/png/1812083.png)
چکیده انگلیسی
First-principles calculation was performed using tight-binding LMTO method with local density approximation (LDA) and atomic sphere approximation (ASA) to understand the electronic properties of rhenium nitride. The equilibrium geometries, the electronic band structure, the total and partial DOS are obtained under various pressures and are analyzed in comparison with the available experimental data. The most stable structure of ReN is NiAs like structure. Our results indicate that ReN can be used as a super-hard conductor. We estimated the average electron–phonon coupling constant to be 1.65 and superconducting transition temperature (Tc) is 5.1 K. The Tc value increases with the increase in pressure.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 406, Issue 17, 1 September 2011, Pages 3303–3307
Journal: Physica B: Condensed Matter - Volume 406, Issue 17, 1 September 2011, Pages 3303–3307
نویسندگان
A.T. Asvini meenaatci, R. Rajeswarapalanichamy, K. Iyakutti,