In the last four years, 2D-TMDs materials have gained huge attention from researchers because they represent another means of getting a material with bandgap energy and stable dynamically for electronics applications. Astonishingly, few of them have synthesized and there is still a lack of theoretical and experimental data on their bandgap energy, which limits the chance of producing new physical properties. Based on the density functional theory, we study the structural, electronic, and vibrational properties of TcS₂ monolayer and TcS₂/Stanene bilayer, respectively. Our results confirm that the predicted geometry can generate the structural parameters well, where very good agreement was obtained between the calculated and previous studies for the TcS₂ monolayer. By determining the spectra of phonons, we show that they are dynamically stable. In addition, our GGA + vdW computations show that the bandgap of TcS₂/Stanene is significantly larger than that of PdS₂/Silicene (1.18 eV with GGA + vdW) by about 0.20 eV and that of PtS₂/Silicene (0.83 eV with GGA + vdW) around 0.54 eV.

在过去的四年中，2D-TMDs材料引起了研究人员的极大关注，因为它们代表了另一种获得带隙能量且动态稳定的材料以用于电子应用的方法。令人惊讶的是，它们中几乎没有合成，并且仍然缺乏有关带隙能的理论和实验数据，这限制了产生新物理性质的机会。基于密度泛函理论，我们分别研究了TcS ₂单层和TcS ₂ / Stanene双层的结构，电子和振动性能。我们的结果证实，预测的几何形状可以很好地生成结构参数，在计算的和先前的TcS ₂研究之间获得了很好的一致性单层。通过确定声子的光谱，我们表明它们是动态稳定的。此外，我们的GGA +范德华计算表明，TCS的带隙₂ / Stanene比PD的显著较大₂通过约0.20 eV和该PTS的/硅烯（1.18 eV的带GGA +范德华）₂ /硅烯（0.83 eV的带GGA + vdW）约为0.54 eV。