کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7993099 | 1516151 | 2018 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Origin of p-type half-metallic ferromagnetism in carbon-doped BeS: First-principles characterization
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Origin of p-type half-metallic ferromagnetism in carbon-doped BeS: First-principles characterization Origin of p-type half-metallic ferromagnetism in carbon-doped BeS: First-principles characterization](/preview/png/7993099.png)
چکیده انگلیسی
Ab-Initio calculations are used to investigate the electronic and magnetic properties of carbon-doped at Be (C@Be) and S (C@S) sites in BeS semiconductor. Structural stability of both (C@Be and C@S) doped systems is taken into account by calculating the formation energies. We found that C@Be doped system maintains its non-magnetic insulating behaviour with smaller band gap of 0.6â¯eV as compared to bulk. On the other hand, when C-doped at S-site (C@S), a half-metallic ferromagnetic state induced which can be explained on the basis of electronegativity difference between dopant atom and replaced cations. The C 2p orbitals are mainly responsible for the metallicity and magnetism with stable moment of 1.06 μB/C atom. Interestingly, the magnetic ground state i.e., ferromagnetic (FM) or anti-ferromagnetic (AFM) depends on the distance between C-atoms. A most stable-ferromagneting ordering is evident when the distance between two C atoms is very small â 3.46â¯Ã
, due to strong C-C coupling with high magnetic transition temperature of Tcâ¯=â¯814â¯K. However, it is noticed that long range ferromagnetic clustering are not favourable. Our calculations demand experimental investigations of electronic and magnetic properties in C-doped BeS.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Alloys and Compounds - Volume 743, 30 April 2018, Pages 83-86
Journal: Journal of Alloys and Compounds - Volume 743, 30 April 2018, Pages 83-86
نویسندگان
W. Akbar, S. Nazir,