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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; Shi, Lijie; Yang, Xiongtao; Ali, Sajjad; Ullah, Hamid; Zou, Bingsuo
2019-10-02
Source PublicationJOURNAL OF PHYSICS-CONDENSED MATTER
ISSN0953-8984
Volume31Issue:39
AbstractIn 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.
Keywordsemiconductor dilute magnetic semiconductors half-metal spintronic optical properties
Indexed BySCI
Language英语
WOS IDWOS:000474923300001
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/80715
Collection中国科学院金属研究所
Recommended Citation
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).
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).
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).
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