论文标题
有限的二维三角晶格的热电特性与电极耦合
Thermoelectric properties of finite two dimensional triangular lattices coupled to electrodes
论文作者
论文摘要
新型的内在二维材料吸引了许多研究人员的注意。这些材料的异常运输和光学特性主要来自三角形晶格（TLS）。因此，能量收集的应用要求对2D TLS的热电特性进行研究。 2D TLS的传输系数是通过使用绿色功能技术来处理弹道传输的。在我们的发现中，尤其重要的是功率因数的电子孔不对称行为（$ PF $）。具体而言，最大$ pf $的电子大大大于孔。在室温下，电子的最大$ pf $由TLS带边缘附近的电极的化学电位位置决定。 $ pf $随着电子状态增加而增强，这是由于电导和恒定塞贝克系数的增强而导致的。当带隙比热能大十倍时，对热电优化进行一次波段模型预测是适当的。
Novel intrinsic two-dimensional materials have attracted many researchers' attention. The unusual transport and optical properties of these materials originate mainly from triangular lattices (TLs). Therefore, the application of energy harvesting calls for a study of the thermoelectric properties of 2D TLs coupled to electrodes. The transmission coefficient of 2D TLs is calculated by using the Green's function technique to treat ballistic transports. Especially important among our findings is the electron-hole asymmetric behavior of the power factor ($PF$). Specifically, the maximum $PF$ of electrons is significantly larger than that of holes. At room temperature, the maximum $PF$ of electrons is dictated by the position of the chemical potential of electrodes near the band edge of TLs. The enhancement of $PF$ with increasing electronic states results from the enhancement of electrical conductance and constant Seebeck coefficient. When the band gap is ten times larger than the thermal energy, it is appropriate to make one-band model predictions for thermoelectric optimization.
