Bu Xiangtian, Wang Shudong
School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China.
Phys Chem Chem Phys. 2020 Feb 19;22(7):4010-4014. doi: 10.1039/c9cp06504k.
Through first-principles simulations combined with the Wannier function interpolation method, the hot carrier scattering rates of D-carbon are studied. The calculated scattering rates reveal that optical and acoustic phonons dominate the scattering around the valence and the conduction band edges, respectively, while mode-resolved scattering analysis shows that the transverse optical phonons dominate the scattering processes with the energy range 0.2 eV away from the band edges in D-carbon. The relaxation times of holes are significantly longer than those of electrons around the band edges due to the different scattering intensity. In addition, owing to the long lifetimes and the strong dispersion of valence bands, the mean free paths of hot holes are dramatically larger than those of hot electrons.
通过结合第一性原理模拟和万尼尔函数插值方法，研究了D-碳的热载流子散射率。计算得到的散射率表明，光学声子和声学声子分别在价带和导带边缘附近的散射中占主导地位，而模式分辨散射分析表明，横向光学声子在D-碳中距带边缘0.2 eV能量范围内的散射过程中占主导地位。由于散射强度不同，带边缘附近空穴的弛豫时间明显长于电子的弛豫时间。此外，由于价带的长寿命和强色散，热空穴的平均自由程比热电子的平均自由程大得多。
