کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9834108 | 1524906 | 2005 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic band structure and ferromagnetic properties of SeCuxZn1âxO3(0⩽x⩽1) perovskites
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Electronic band structure and ferromagnetic properties of SeCuxZn1âxO3(0⩽x⩽1) perovskites Electronic band structure and ferromagnetic properties of SeCuxZn1âxO3(0⩽x⩽1) perovskites](/preview/png/9834108.png)
چکیده انگلیسی
First-principles calculations have been performed to study the electronic band structure and the ferromagnetic properties of the Se(CuxZn1âx)O3 perovskites for x=0, 0.25, 0.5, 0.75 and 1. The calculations are based on density-functional theory with the generalized gradient approximation. In order to study the mechanism of magnetic interactions, the density of states and the spontaneous magnetic moment per molecule were calculated. The calculations revealed that the Se(CuxZn1âx)O3 system has a stable ferromagnetic ground state for x>0.25, and the spin magnetic moment per molecule is xμB, which is in good agreement with the experimental value. It is found that the unpaired electrons in the compounds are localized in the p-d hybridization orbits constituted primarily of Cu 3d, and O(1) px and O(2) px orbits.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 292, April 2005, Pages 367-371
Journal: Journal of Magnetism and Magnetic Materials - Volume 292, April 2005, Pages 367-371
نویسندگان
S.J. Luo, K.L. Yao,