کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8154488 | 1524799 | 2017 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The electronic, magnetic and optical properties of ZnO doped with doubles impurities (Cr, Fe): An LDA-SIC and Monte Carlo study
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موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: The electronic, magnetic and optical properties of ZnO doped with doubles impurities (Cr, Fe): An LDA-SIC and Monte Carlo study The electronic, magnetic and optical properties of ZnO doped with doubles impurities (Cr, Fe): An LDA-SIC and Monte Carlo study](/preview/png/8154488.png)
چکیده انگلیسی
Electronic structure, magnetic and optical properties of ZnO doped with single and double impurities Zn1âxCrxO, Zn1âxFexO, and Zn1â2xCrxFexO (x=0.03 and 0.06) are investigated using first-principles calculations. Based on the Korringa-Kohn-Rostoker method combined with the coherent potential approximation, we investigated the half-metallic ferromagnetic behavior of doubles impurities (Cr, Fe) doped ZnO. To support our results, we apply the self-interaction-corrected local density approximation (SIC-LDA) to study the electronic structure, optical and magnetic properties of Co-doped ZnO with doubles impurities (Cr, Fe) showing that the half-metallic ferromagnetic state still persists. The stability of the ferromagnetic state compared with the spin-glass state is investigated by comparing their total energies. The exchange interactions obtained from first principle calculations and used in a classical Ising model by a Monte Carlo approach resulted in ferromagnetic states with high Neel temperature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 422, 15 January 2017, Pages 348-355
Journal: Journal of Magnetism and Magnetic Materials - Volume 422, 15 January 2017, Pages 348-355
نویسندگان
El Mehdi Salmani, Ayoub Laghrissi, Rachida Lamouri, Hamid Ez-Zahraouy, Abdelilah Benyoussef,