کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5025632 | 1470589 | 2017 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Influence of the strong field in enhancing, electronic magnetic and optical properties of Mn-doped MgO
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
سایر رشته های مهندسی
مهندسی (عمومی)
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چکیده انگلیسی
The local spin density approximation with Hubbard-like coulomb term based on first principles calculations are used to investigate a substitute doping of transition metal Mn in MgO. Under the crystal field theory and according to the intensity of the ligand field, the d4-d8 transition elements can have two possible configurations such as the case of Mn(d5), in its low spin configuration that represents a strong field, the Mn+2 doped MgO material has a half-metallic character in the two proposed studies approximations: the local spin density approximation (LSDA) and (LSDA + U), a character that will enable to change the magnetic, electronic and optical properties., This result is supported by the sp-d exchange mechanism calculation confirming that the coupling between impurity and ligand is completely ferromagnetic. The material has a magnetic moment of about 1 μB, mainly due to the Mn impurity of around 95% in LSDA + U case. In optical propriety the material shows a slight spin polarization and reduction of band gap of around 5% with strong filed in LSDA + U case.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Optik - International Journal for Light and Electron Optics - Volume 138, June 2017, Pages 295-301
Journal: Optik - International Journal for Light and Electron Optics - Volume 138, June 2017, Pages 295-301
نویسندگان
S. Meskine, D.E. Aimouch, R. Hayn, A. Zaoui, A. Boukortt,