Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study

doi:10.1088/1361-648X/ab2d98

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	Optoelectronic and magnetic properties of Mn-doped and Mn-C co-doped Wurtzite ZnS: a first-principles study
	Khan, Muhammad Sheraz 1,2; Shi, Lijie 1,2; Yang, Xiongtao 1,2; Ali, Sajjad 3; Ullah, Hamid 4; Zou, Bingsuo 1,2
通讯作者	Shi, Lijie(ljshi@bit.edu.cn) ; Zou, Bingsuo(Zoubs@bit.edu.cn)
	2019-10-02
发表期刊	JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN	0953-8984
卷号	31 期号:39 页码:13
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.
关键词	semiconductor dilute magnetic semiconductors half-metal spintronic optical properties
资助者	973 Project of China
DOI	10.1088/1361-648X/ab2d98
收录类别	SCI
语种	英语
资助项目	973 Project of China[2014CB920903]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000474923300001
出版者	IOP PUBLISHING LTD
引用统计	被引频次：37[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/134423
专题	中国科学院金属研究所
通讯作者	Shi, Lijie; Zou, Bingsuo
作者单位	1.Beijing Inst Technol, Beijing Key Lab Nanophoton & Ultrafine Optoelect, Beijing 100081, Peoples R China 2.Beijing Inst Technol, Sch Phys, Beijing 100081, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 4.Univ Ulsan, Dept Phys, Ulsan 44610, South Korea
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.