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 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 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 and refractive index and In energy range of 0 to 1.5 eV, the transmittance of intrinsic MoS₂ system is higher than that of all co-doped MoS₂ systems obtained by absorption coefficient

由于制造自旋电子、电子和光子器件，单层过渡金属二硫属化物的磁性和光学性质研究引起了人们的关注。本文通过第一性原理计算报道了Mn-O、Mn-Se、Mn-Te、Mn-Po共掺杂MoS ₂单层体系的磁性和光学性质，结果表明Mn-X(X=O, Se, Te和Po)共掺杂MoS ₂单层体系出现半金属（HM）铁磁体，其对应的磁矩分别为1.06 μ _B、1.04 μ _B、1.04 μ _B、1.03 μ _B， 分别。由于 Mn-O、Mn-Se、Mn-Te 和 Mn-Po 原子之间的有效电荷补偿，共掺杂系统具有更小的带隙。根据计算，我们发现Mn-O共掺杂的MoS ₂单层在四种共掺杂体系中具有最低的形成能。因此Mn-O共掺杂的MoS ₂单层具有最好的稳定性。Mn-Se 共掺杂的 MoS ₂单层具有最高的静态介电常数和折射率，并且在 0 到 1.5 eV 的能量范围内，本征 MoS ₂系统的透射率高于所有共掺杂 MoS ₂系统的透射率。吸收系数