Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study
文献类型：期刊论文
| 作者 | Khan, Muhammad Sheraz2,3; Shi, Lijie2,3; Yang, Xiongtao2,3; Ali, Sajjad4; Ullah, Hamid1; Zou, Bingsuo2,3 |
| 刊名 | JOURNAL OF PHYSICS-CONDENSED MATTER
 |
| 出版日期 | 2019-10-02 |
| 卷号 | 31期号:39页码:13 |
| 关键词 | semiconductor dilute magnetic semiconductors half-metal spintronic optical properties |
| ISSN号 | 0953-8984 |
| DOI | 10.1088/1361-648X/ab2d98 |
| 通讯作者 | Shi, Lijie(ljshi@bit.edu.cn) ; Zou, Bingsuo(Zoubs@bit.edu.cn) |
| 英文摘要 | In order to meet the requirement of spintronic and optoelectronic, we have systematically investigated the effect of Mn doping and co-doping of Mn with C on the electronic, magnetic and optical properties of wurtzite zinc sulfide (ZnS) using first principle calculations. Our results find that single Mn doping alters the non-magnetic ZnS to a magnetic one and keeps its semiconducting and a semiconductor to half-metal transition is observed for Mn-C co-doping. Furthermore, an antiferromagnetic (AFM) and ferromagnetic (FM) ground states are favorable for Mn-doped and Mn-C co-doped system, respectively. Additionally, the optical properties of our studied configuration have been calculated in terms of real and imaginary parts of the complex dielectric function, absorption coefficient, and reflectivity. The absorption edge shifts slightly toward lower energy and intensity of the main peak become weak for single Mn doping, and a sharp peak at low energy is observed for the Mn-C co-doping. The analysis of optical absorption of Mn ions doped system shows the blue-and red-shifts of the d-d transition in the AFM and FM coupled of Mn ions doped configuration, respectively which is in good agreement with the experimental observations. The improved magnetic and optical properties of Mn-C co-doped ZnS shed light on the future application of such kind of materials in spintronic and optoelectronic devices such as remote sensing and photovoltaics. |
| 资助项目 | 973 Project of China[2014CB920903] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000474923300001 |
| 出版者 | IOP PUBLISHING LTD |
| 资助机构 | 973 Project of China |
| 源URL | [http://ir.imr.ac.cn/handle/321006/134422]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 通讯作者 | Shi, Lijie; Zou, Bingsuo |
| 作者单位 | 1.Univ Ulsan, Dept Phys, Ulsan 44610, South Korea 2.Beijing Inst Technol, Beijing Key Lab Nanophoton & Ultrafine Optoelect, Beijing 100081, Peoples R China 3.Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R China 4.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China |
| 推荐引用方式 GB/T 7714 | Khan, Muhammad Sheraz,Shi, Lijie,Yang, Xiongtao,et al. Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2019,31(39):13. |
| APA | Khan, Muhammad Sheraz,Shi, Lijie,Yang, Xiongtao,Ali, Sajjad,Ullah, Hamid,&Zou, Bingsuo.(2019).Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study.JOURNAL OF PHYSICS-CONDENSED MATTER,31(39),13. |
| MLA | Khan, Muhammad Sheraz,et al."Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study".JOURNAL OF PHYSICS-CONDENSED MATTER 31.39(2019):13. |
入库方式： OAI收割
来源：金属研究所
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