Stable geometries, electronic structure, and optical properties of ZnO monolayer doped with metalloid element (M = B, Si, Ge, As, Sb, and Te) atom have been studied using density functional theory. It is found that among these elements Ge, As, and Sb can be effectively doped at Zn site in the ZnO monolayer with the formation energies ranging from −1.02 to −0.96 eV. Except B element, all the metalloid atoms prefer to protrude out of the plane of the ZnO monolayer. The nonmagnetic nature of the ZnO monolayer is retained with the doping of B, Si, Ge, As, and Sb atom, while Te atom induces the magnetism in ZnO monolayer (2 $\mu B$). While doping of Si, As, Sb, and Te in ZnO monolayer resulted in a red shift in the absorption spectra of doped ZnO monolayer and the blue shift is observed for B and Ge doped ZnO. The static dielectric constant for ZnO monolayer is 1.49. With the doping of these metalloid elements in ZnO monolayer, the dielectric constant can be tuned from 1.36 to 2.84. These results are potentially useful for optoelectronic applications and the development of optical nanostructures.

利用密度泛函理论研究了掺有准金属元素（M = B，Si，Ge，As，Sb和Te）的ZnO单层的稳定几何形状，电子结构和光学性质。发现在这些元素中，Ge，As和Sb可以以-1.02至-0.96eV范围内的形成能有效地掺杂在ZnO单层的Zn位点处。除B元素外，所有准金属原子都倾向于突出到ZnO单层的平面之外。ZnO单层的非磁性本质通过掺杂B，Si，Ge，As和Sb原子得以保留，而Te原子则在ZnO单层中引起磁性（2$\mu 乙$）。在ZnO单层中掺杂Si，As，Sb和Te会导致掺杂的ZnO单层的吸收光谱出现红移，而B和Ge掺杂的ZnO则观察到蓝移。ZnO单层的静态介电常数为1.49。通过在ZnO单层中掺杂这些准金属元素，可以将介电常数从1.36调整到2.84。这些结果可能对光电应用和光学纳米结构的发展有用。