The models and photoelectrical properties of Te doped graphenes with different contents (1Te-G, 2Te-G, 3Te-G and 4Te-G) were built and analyzed by using DFT method, and their properties were also discussed under the external electric field (−0.6 to 0.6 eV/Å). The phonon dispersion and formation energy of Te doped graphenes indicated that their structures were stable and it can be synthesized by conventional methods. Moreover, the band gaps of Te doped graphens were increased from 0.434 eV, 0.521 eV, 0.588 eV to 0.990 (the indirect one is 0.910) eV with the increase of Te atoms content in the graphene, and the effective masses of electrons and holes were increased with the increase in the concentration of Te atom in Te doped graphen. Taking 4Te-G as example, its band gap was increased from 0.245 to 1.152 eV in the range −0.6 to 0.6 eV/Å. The optical analysis date indicated that the peak (dielectric function, refractive index, reflectivity and loss function) curves of Te doped graphenes in low frequency region were gradually red-shifted with the increase of Te atoms content in the graphene, and there was no significant change in the high frequency region. Under the applied electric field, their corresponding peaks curve were not changed in the low frequency. But under the action of a positive electric field, these peak curves with increased intensity were blue-shifted regardless of the magnitude of the applied electric field intensity. However, the negative electric field has the opposite effect.

利用DFT方法建立并分析了不同含量的Te掺杂石墨烯（1Te-G，2Te-G，3Te-G和4Te-G）的模型和光电性能，并在外电场下讨论了它们的性能（ -0.6至0.6 eV /Å）。掺Te的石墨烯的声子色散和形成能表明它们的结构是稳定的，可以通过常规方法合成。此外，随着石墨烯中Te原子含量的增加，掺Te的石墨烯的带隙从0.434 eV，0.521 eV，0.588 eV增加到0.990 eV（间接的是0.910 eV），电子和空穴的有效质量为随Te掺杂石墨烯中Te原子浓度的增加而增加。以4Te-G为例，其带隙在-0.6至0.6eV /Å的范围内从0.245eV增加至1.152eV。光学分析数据表明，随着石墨烯中Te原子含量的增加，掺Te的石墨烯在低频区域的峰（介电函数，折射率，反射率和损耗函数）曲线逐渐红移，且无明显变化。在高频区域发生变化。在施加电场的情况下，其相应的峰值曲线在低频下没有变化。但是，在正电场的作用下，这些强度增加的峰曲线都会蓝移，而与施加的电场强度的大小无关。但是，负电场具有相反的作用。随着石墨烯中Te原子含量的增加，掺Te的石墨烯在低频区域的反射率曲线逐渐红移，而在高频区域则无明显变化。在施加电场的情况下，其相应的峰值曲线在低频下没有变化。但是，在正电场的作用下，这些强度增加的峰曲线都会蓝移，而与施加的电场强度的大小无关。但是，负电场具有相反的作用。随着石墨烯中Te原子含量的增加，掺Te的石墨烯在低频区域的反射率曲线逐渐红移，而在高频区域则无明显变化。在施加电场的情况下，其相应的峰值曲线在低频下没有变化。但是，在正电场的作用下，这些强度增加的峰曲线都会蓝移，而与施加的电场强度的大小无关。但是，负电场具有相反的作用。不管施加的电场强度的大小如何，这些强度增加的峰曲线都会蓝移。但是，负电场具有相反的作用。不管施加的电场强度的大小如何，这些强度增加的峰曲线都会蓝移。但是，负电场具有相反的作用。