论文标题
双层抗二烯的电性能上的堆叠顺序和面内应变之间的相互作用
Interplay Between Stacking Order and In-plane Strain on the Electrical Properties of Bilayer Antimonene
论文作者
论文摘要
在这项工作中，研究了带有不同堆叠顺序的双层抗氨基的电性能。使用范德华（VDW）校正的密度功能理论用于研究电性能。两种配置显示了相当大的带盖，而对于其他结构，带盖接近零。平面双轴应变用于修饰电性能。带隙在特定的应变水平下达到最大值，然后在更大的压缩和拉伸应变下关闭。通过菌株探索了传统带中三个山谷（$γ$，Q和K）的能量。与应变之间的这些山谷之间的传导带最小开关。两个频段也有助于价值带的最大值，并研究了这两个频段的能量。最后，获得了传统带和价带的山谷的有效质量。 $γ$ -VALLEY的有效质量表明有效质量最低。
In this work, the electrical properties of bilayer Antimonene with different stacking orders are studied. Density functional theory with van der Waals (vdW) correction is used to investigate the electrical performances. Two configurations demonstrate considerable bandgaps, whereas, the bandgaps are close to zero for other structures. The in-plane biaxial strain is applied to modify the electrical properties. The bandgap reaches a maximum at a specific strain level and then closes at more enormous compressive and tensile strains. The energy of three valleys ($Γ$, Q, and K) in the conduction band are explored with the strain. The conduction band minimum switches between these valleys with the strain. Two bands also contribute to the valence band maximum, and the energy of these two bands for various strains is investigated. Finally, the effective mass for the valleys of the conduction band and the valence band are obtained. The effective mass at $Γ$-valley demonstrates the lowest effective mass.
