Silicon carbide nanotubes (SiCNTs) have attracted extensive scientific and commercial interest due to their excellent properties. Based on the first principles, the lattice and energy band structure of group III element-doped SiCNTs are studied, it is found that when the electronegativity of the doped atoms is less than that of the surrounding atoms, except for an acceptor energy level near the top of the valence band, a deep impurity level is also produced near the conduction band. Numerical simulation results show that the substitution of silicon is beneficial to improve the transport performance of SiCNTs, while the substitution of C atoms is more beneficial to the improvement of recombination performance. Further analysis showed that the dominant role in the transport process of doped SiCNTs is the optical phonon scattering mechanism. The increase in non-equilibrium minority carrier lifetime when C is substituted is due to the large acceptor ionization energy, which reduces the trapping rate of holes. This will improve the photon excitation and radiation performance of doped SiCNTs.

碳化硅纳米管（SiCNT）由于其优异的性能而引起了广泛的科学和商业兴趣。基于第一个原理，研究了III族元素掺杂SiCNT的晶格和能带结构，发现当掺杂原子的电负性小于周围原子的电负性时，除了附近的受主能级。在价带的顶部，在导带附近也会产生很深的杂质能级。数值模拟结果表明，硅的取代​​有利于提高SiCNTs的传输性能，而碳原子的取代更有利于提高复合性能​​。进一步的分析表明，在掺杂的SiCNT的传输过程中的主要作用是光学声子散射机制。当C被取代时，非平衡少数载流子寿命的增加是由于受体电离能大，从而降低了空穴的俘获率。这将改善掺杂的SiCNT的光子激发和辐射性能。