کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1798056 1524803 2016 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab-initio study of half-metallic ferromagnetism in Co/Ni substituted Li2X (X=S, Se, Te) compounds
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Ab-initio study of half-metallic ferromagnetism in Co/Ni substituted Li2X (X=S, Se, Te) compounds
چکیده انگلیسی
Electronic structure and half-metallic ferromagnetism of Co/Ni substituted Li2X (X=S, Se, Te) have been studied using the ab-initio method. Appropriately constructed supercells along with the full structural optimization of these cells are used for studying the effect of one and two Co/Ni ions substitution on the magnetism and electronic properties of these compounds. Our results reveal that the Co/Ni ions can induce ferromagnetic ground state in these compounds. Both one and two Co/Ni ions substituted Li2X (X=S, Se, Te) exhibit half-metallic behavior (except for Co substituted Te systems), thereby exhibiting 100% spin polarization. We further observed that the electron correlation effects on these materials do not affect the half-metallic ferromagnetism of these compounds. Curie temperature (Tc) of these compounds is also estimated. The Co/Ni substituted Li2X (X=S, Se, Te) compounds are thus an interesting class of half-metallic materials that deserve further studies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 418, 15 November 2016, Pages 148-157
نویسندگان
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