We studied the electronic, optical, and electrical conductivity properties of the two types of the single-layer tetragonal silicon carbides (SiC), termed as T1 and T2, by using DFT and Boltzmann theory. The latter two theories are implemented in the wien2k code and Boltztrap package, respectively. We detected that the behaviors of these 2-D nanomaterials are both affected by and dependent on the sites of the C and Si atoms in the SiC structures. Our results demonstrated that T1 is a semiconductor nanomaterial with direct electronic band gap; but the second type of the SiC (T2) is a conductor nanomaterial. Furthermore, we found out that the optical properties of these 2-D nanomaterials are also influenced by the positions of the C and Si atoms in the T1 and T2. Another significant result is the electrical conductivity. The T1 has a better electrical conductivity comparing it to T2. In brief, we predict that T1 will be very useful in various applications such as being used to create solar cells, nano-devices, transistors and phototransistors.

我们使用DFT和Boltzmann理论研究了两种类型的单层四方碳化硅（SiC）的电子，光学和电导性质，分别称为T1和T2。后两种理论分别在wien2k代码和Boltztrap软件包中实现。我们检测到这些二维纳米材料的行为既受SiC结构中C和Si原子的位置影响，又取决于其位置。我们的结果表明，T1是具有直接电子带隙的半导体纳米材料。但是第二种SiC（T2）是导体纳米材料。此外，我们发现这些二维纳米材料的光学特性还受到T1和T2中C和Si原子的位置的影响。另一个重要的结果是导电率。与T2相比，T1具有更好的电导率。简而言之，我们预测T1在各种应用中将非常有用，例如用于制造太阳能电池，纳米器件，晶体管和光电晶体管。