کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8204276 | 1530537 | 2018 | 20 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2 Electronic structures, magnetic properties and band alignments of 3d transition metal atoms doped monolayer MoS2](/preview/png/8204276.png)
چکیده انگلیسی
Utilizing first-principles calculations, the electronic structures, magnetic properties and band alignments of monolayer MoS2 doped by 3d transition metal atoms have been investigated. It is found that in V, Cr, Mn, Fe-doped monolayers, the nearest neighboring S atoms (SNN) are antiferromagnetically polarized with the doped atoms. While in Co, Ni, Cu, Zn-doped systems, the SNN are ferromagnetically coupled with the doped atoms. Moreover, the nearest neighboring Mo atoms also demonstrate spin polarization. Compared with pristine monolayer MoS2, little change is found for the band edges' positions in the doped systems. The Fermi level is located in the spin-polarized impurity bands, implying a half-metallic state. These results provide fundamental insights for doped monolayer MoS2 applying in spintronic, optoelectronic and electronic devices.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 382, Issues 2â3, 20 January 2018, Pages 111-115
Journal: Physics Letters A - Volume 382, Issues 2â3, 20 January 2018, Pages 111-115
نویسندگان
Maokun Wu, Xiaolong Yao, Yuan Hao, Hong Dong, Yahui Cheng, Hui Liu, Feng Lu, Weichao Wang, Kyeongjae Cho, Wei-Hua Wang,