کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5450196 | 1512861 | 2017 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic and magnetic properties of Mn-doped WSe2 monolayer under strain
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
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چکیده انگلیسی
Electronic and magnetic properties of Mn-doped WSe2 monolyer subject to isotropic strain are investigated using the first-principles methods based on the density functional theory. Our results indicate that Mn-doped WSe2 monolayer is a magnetic semiconductor nanomaterial with strong spontaneous magnetism without strain and the total magnetic moment of Mn-doped system is 1.038μB. We applied strain to Mn-doped WSe2 monolayer from -10% to 10%. The doped system transforms from magnetic semiconductor to half-metallic material from â10% to â2% compressive strain and from 2% to 6% tensile strain. The largest half-metallic gap is 0.450 eV at â2% compressive strain. The doped system shows metal property from 7% to 10%. Its maximum magnetic moment comes to 1.181μB at 6% tensile strain. However, the magnetic moment of system decreases to zero sharply when tensile strain arrived at 7%. Strain changes the redistribution of charges and arises to the magnetic effect. The coupling between the 3d orbital of Mn atom, 5d orbital of W atom and 4p orbital of Se atom is analyzed to explain the strong strain effect on the magnetic properties. Our studies predict Mn-doped WSe2 monolayers under strain to be candidates for thin dilute magnetic semiconductors, which is important for application in semiconductor spintronics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 88, April 2017, Pages 11-17
Journal: Physica E: Low-dimensional Systems and Nanostructures - Volume 88, April 2017, Pages 11-17
نویسندگان
Qianqian Xin, Xu Zhao, Tianxing Wang,