In this paper, we investigate the thermoelectric transport coefficients namely the Seebeck coefficient, the electrical conductivity, the electronic thermal conductivity and the lattice thermal conductivity using first-principles calculations in density functional theory. We also estimate the figure-of-merit for both intrinsic as well as extrinsic low-buckled monolayer silicene. Using Electron-Phonon Wannier function, we calculate the average scattering time in the reduced Brillouin zone as a function of temperature. The scattering time of electrons in the conduction band is found to be slightly higher than that of holes in the valence band. Also, the out-of-plane acoustic phonon modes scatter more strongly than the in-pane acoustic modes and hence contributes less in lattice thermal conductivity. We observe that the lattice thermal conductivity of monolayer intrinsic silicene comes out of the order of 9.2 W$m^{-1}{K}^{-1}$ and the figure-of-merit in n-type material is almost twice to that of the p-type at around 1200 K. We compare the results obtained with HSE06 hybrid functional and PBE functional and find that there is a significant improvement in the values of those transport coefficients calculated using HSE06.

在本文中，我们使用密度泛函理论中的第一性原理研究了热电传输系数，即塞贝克系数，电导率，电子热导率和晶格热导率。我们还估计了本征和非本征低屈曲单层硅的品质因数。使用电子-Phonon Wannier函数，我们计算了在减小的布里渊区中的平均散射时间与温度的关系。发现导带中电子的散射时间比价带中空穴的散射时间略高。而且，面外声子模式比面内声模式更强烈地散射，因此对晶格热导率的贡献较小。${米}^{-\mathrm{1个}}{ķ}^{-\mathrm{1个}}$ 在1200 K左右时，n型材料的品质因数几乎是p型的两倍。我们比较了HSE06杂化功能和PBE功能的结果，发现该值有显着提高使用HSE06计算的那些传输系数。