文献类型：期刊文献

英文题名：The magnetic, optical and electronic properties of Mn-X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation

作者：Lang, Qi-Zhi Huang, Yan-Bin Wei, Jie-Min Wang, Yi Guo, Xiang Luo, Zi-Jiang Ding, Zhao

第一作者：Lang, Qi-Zhi

通信作者：Ding, Z[1];Ding, Z[2];Ding, Z[3]

机构：[1]Guizhou Univ, Coll Big Data & Informat Engn, Guiyang 550025, Peoples R China;[2]Key Lab Micronanoelect Guizhou Prov, Guiyang 550025, Peoples R China;[3]Minist Educ, Power Semicond Device Reliabil Engn Ctr, Guiyang 550025, Peoples R China;[4]Guizhou Inst Technol, Sch Elect & Informat Engn, Guiyang 550025, Peoples R China;[5]Guizhou Univ Finance & Econ, Coll Informat, Guiyang 550025, Peoples R China

第一机构：Guizhou Univ, Coll Big Data & Informat Engn, Guiyang 550025, Peoples R China

通信机构：corresponding author), Guizhou Univ, Coll Big Data & Informat Engn, Guiyang 550025, Peoples R China;corresponding author), Key Lab Micronanoelect Guizhou Prov, Guiyang 550025, Peoples R China;corresponding author), Minist Educ, Power Semicond Device Reliabil Engn Ctr, Guiyang 550025, Peoples R China.

年份：2020

卷号：7

期号：11

外文期刊名：MATERIALS RESEARCH EXPRESS

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000588258700001)】；

基金：This work was supported by the national Natural Science Foundation of China (Grant No 61564002).

语种：英文

外文关键词：monolayers MoS2; half-metal ferromagnet; doping; spintronics; electronic properties

摘要：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 MoS2 monolayer systems via first principle calculation, results show Mn-X(X = O, Se, Te and Po) co-doped MoS2 monolayer systems appear half-metal (HM) ferromagnet, their corresponding magnetic moments are 1.06 mu(B), 1.04 mu(B), 1.04 mu(B), 1.03 mu(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 MoS2 monolayer has the lowest formation energy in four co-doping systems. Thus the Mn-O co-doped MoS2 monolayer has the best stability. The Mn-Se co-doped MoS2 monolayer has the highest static dielectric constants epsilon(1)(w) and epsilon(2) (w), refractive index n(w) and k (w). In energy range of 0 to 1.5 eV, the transmittance of intrinsic MoS2 systemis higher than that of all co-dopedMoS2 systems obtained by absorption coefficient alpha(w).