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
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مهندسی (عمومی)
پیش نمایش صفحه اول مقاله
Influence of the strong field in enhancing, electronic magnetic and optical properties of Mn-doped MgO
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
نویسندگان
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