کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1785360 | 1399587 | 2016 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Investigation of ferromagnetic semiconducting and opto-electronic properties of Zn1âxMnxS (0 â¤Â x â¤Â 1) alloys: A DFT-mBJ approach
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In this study, we report the mechanical, structural, electronic, magnetic and optical behaviors in Zn1âxMnxS (0 â¤Â x â¤Â 1), which are determined by employing Wein2K code. The ferromagnetic (FM) state stability of the Zn1âxMnxS alloys has been elucidated from the calculated values of enthalpy of formation. The elastic constant (C11, C12, C14) are calculated to find various useful mechanical parameters, which depend upon Mn concentrations. The calculated electronic band structure and density of states (DOS) have demonstrated that exchange splitting through p-d hybridization, arising due to Mn impurities, stabilize a ferromagnetic state. The exchange splitting of the bands is further elucidated from the sharing of magnetic moment, charge and spin, between the impurity cations and the host lattice anions. Various parameters like direct spin-exchange splitting Îx(d), exchange constants N0α and N0β have also confirmed a stable ferromagnetic state. Various calculated optical parameters have indicated that the studied compounds respond to visible and ultraviolet energies. Moreover, the calculated optical band gap and static dielectric constant É1 (0) verify Penn's model. The studied compounds of Zn1âxMnxS have been shown theoretically that they find potential spintronic and optical device applications.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Current Applied Physics - Volume 16, Issue 11, November 2016, Pages 1473-1483
Journal: Current Applied Physics - Volume 16, Issue 11, November 2016, Pages 1473-1483
نویسندگان
M. Hassan, N.A. Noor, Q. Mahmood, B. Amin,