The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation
The magnetic and optical properties studies in monolayer transition-metal dichalcogenides have attracted attention because of the manufacture spintronic, electronic and photonic devices. This paper reported the magnetism and optical properties of Mn–O, Mn–Se, Mn–Te, Mn–Po co-doped MoS _2 monolayer s...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
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| Online Access: | https://doi.org/10.1088/2053-1591/abc5df |
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| author | Qi-Zhi Lang Yan-Bin Huang Jie-Min Wei Yi Wang Xiang Guo Zi-Jiang Luo Zhao Ding |
| author_facet | Qi-Zhi Lang Yan-Bin Huang Jie-Min Wei Yi Wang Xiang Guo Zi-Jiang Luo Zhao Ding |
| author_sort | Qi-Zhi Lang |
| collection | DOAJ |
| description | The magnetic and optical properties studies in monolayer transition-metal dichalcogenides have attracted attention because of the manufacture spintronic, electronic and photonic devices. This paper reported the magnetism and optical properties of Mn–O, Mn–Se, Mn–Te, Mn–Po co-doped MoS _2 monolayer systems via first principle calculation, results show Mn-X(X = O, Se, Te and Po) co-doped MoS _2 monolayer systems appear half-metal (HM) ferromagnet, their corresponding magnetic moments are 1.06 μ _B , 1.04 μ _B , 1.04 μ _B , 1.03 μ _B , respectively. Co-doped systems have smaller band gaps due to effective charge compensation among Mn–O, Mn–Se, Mn–Te and Mn–Po atoms. According to calculation, we find Mn–O co-doped MoS _2 monolayer has the lowest formation energy in four co-doping systems. Thus the Mn–O co-doped MoS _2 monolayer has the best stability. The Mn–Se co-doped MoS _2 monolayer has the highest static dielectric constants ${\varepsilon }_{1}\left(\omega \right)$ and ${\varepsilon }_{2}\left(\omega \right),$ refractive index $n\left(\omega \right)$ and $k\left(\omega \right).$ In energy range of 0 to 1.5 eV, the transmittance of intrinsic MoS _2 system is higher than that of all co-doped MoS _2 systems obtained by absorption coefficient $\alpha \left(\omega \right).$ |
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| institution | Directory Open Access Journal |
| issn | 2053-1591 |
| language | English |
| last_indexed | 2024-03-12T15:43:14Z |
| publishDate | 2020-01-01 |
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| series | Materials Research Express |
| spelling | doaj.art-85ac8b930b6b499284501aeeceb8a71e2023-08-09T15:52:01ZengIOP PublishingMaterials Research Express2053-15912020-01-0171111630110.1088/2053-1591/abc5dfThe magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculationQi-Zhi Lang0https://orcid.org/0000-0002-2097-4748Yan-Bin Huang1Jie-Min Wei2Yi Wang3Xiang Guo4Zi-Jiang Luo5Zhao Ding6College of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Key Laboratory of Micro-Nano-Electronics of Guizhou Province, Guiyang 550025, People’s Republic of China; Power Semiconductor Device Reliability Engineering Center of the Ministry of Education, Guiyang 550025, People’s Republic of ChinaCollege of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Key Laboratory of Micro-Nano-Electronics of Guizhou Province, Guiyang 550025, People’s Republic of China; Power Semiconductor Device Reliability Engineering Center of the Ministry of Education, Guiyang 550025, People’s Republic of ChinaCollege of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Power Semiconductor Device Reliability Engineering Center of the Ministry of Education, Guiyang 550025, People’s Republic of China; School of Electrical and Information Engineering, Guizhou Institute of Technology, Guiyang 550025, People’s Republic of ChinaCollege of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Key Laboratory of Micro-Nano-Electronics of Guizhou Province, Guiyang 550025, People’s Republic of China; Power Semiconductor Device Reliability Engineering Center of the Ministry of Education, Guiyang 550025, People’s Republic of ChinaCollege of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Key Laboratory of Micro-Nano-Electronics of Guizhou Province, Guiyang 550025, People’s Republic of China; Power Semiconductor Device Reliability Engineering Center of the Ministry of Education, Guiyang 550025, People’s Republic of ChinaCollege of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Key Laboratory of Micro-Nano-Electronics of Guizhou Province, Guiyang 550025, People’s Republic of China; College of Information, Guizhou University of Finance and Economics , Guiyang, 550025, People’s Republic of ChinaCollege of Big Data and Information Engineering, Guizhou University , Guiyang 550025, People’s Republic of China; Key Laboratory of Micro-Nano-Electronics of Guizhou Province, Guiyang 550025, People’s Republic of China; Power Semiconductor Device Reliability Engineering Center of the Ministry of Education, Guiyang 550025, People’s Republic of ChinaThe magnetic and optical properties studies in monolayer transition-metal dichalcogenides have attracted attention because of the manufacture spintronic, electronic and photonic devices. This paper reported the magnetism and optical properties of Mn–O, Mn–Se, Mn–Te, Mn–Po co-doped MoS _2 monolayer systems via first principle calculation, results show Mn-X(X = O, Se, Te and Po) co-doped MoS _2 monolayer systems appear half-metal (HM) ferromagnet, their corresponding magnetic moments are 1.06 μ _B , 1.04 μ _B , 1.04 μ _B , 1.03 μ _B , respectively. Co-doped systems have smaller band gaps due to effective charge compensation among Mn–O, Mn–Se, Mn–Te and Mn–Po atoms. According to calculation, we find Mn–O co-doped MoS _2 monolayer has the lowest formation energy in four co-doping systems. Thus the Mn–O co-doped MoS _2 monolayer has the best stability. The Mn–Se co-doped MoS _2 monolayer has the highest static dielectric constants ${\varepsilon }_{1}\left(\omega \right)$ and ${\varepsilon }_{2}\left(\omega \right),$ refractive index $n\left(\omega \right)$ and $k\left(\omega \right).$ In energy range of 0 to 1.5 eV, the transmittance of intrinsic MoS _2 system is higher than that of all co-doped MoS _2 systems obtained by absorption coefficient $\alpha \left(\omega \right).$https://doi.org/10.1088/2053-1591/abc5dfmonolayers MoS2half-metal ferromagnetdopingspintronicselectronic properties |
| spellingShingle | Qi-Zhi Lang Yan-Bin Huang Jie-Min Wei Yi Wang Xiang Guo Zi-Jiang Luo Zhao Ding The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation Materials Research Express monolayers MoS2 half-metal ferromagnet doping spintronics electronic properties |
| title | The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation |
| title_full | The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation |
| title_fullStr | The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation |
| title_full_unstemmed | The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation |
| title_short | The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation |
| title_sort | magnetic optical and electronic properties of mn x x o se te po co doped mos2 monolayers via first principle calculation |
| topic | monolayers MoS2 half-metal ferromagnet doping spintronics electronic properties |
| url | https://doi.org/10.1088/2053-1591/abc5df |
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