School of Science, National University of Defense Technology, Changsha 410073, People's Republic of China.
J Phys Condens Matter. 2012 Aug 22;24(33):335501. doi: 10.1088/0953-8984/24/33/335501. Epub 2012 Jul 20.
We report on the first-principles calculations of bandgap modulation in armchair MoS(2) nanoribbon (AMoS(2)NR) by transverse and perpendicular electric fields respectively. In the monolayer AMoS(2)NR case, it is shown that the bandgap can be significantly reduced and be closed by transverse field, whereas the bandgap modulation is absent under perpendicular field. The critical strength of transverse field for gap closure decreases as ribbon width increases. In the multilayer AMoS(2)NR case, in contrast, it is shown that the bandgap can be effectively reduced by both transverse and perpendicular fields. Nevertheless, it seems that the two fields exhibit different modulation effects on the gap. The critical strength of perpendicular field for gap closure decreases with increasing number of layers, while the critical strength of transverse field is almost independent of it.
我们报告了通过横向和纵向电场分别对扶手椅型 MoS(2)纳米带（AMoS(2)NR）的带隙调制的第一性原理计算。在单层 AMoS(2)NR 情况下，结果表明，横向场可以显著减小并关闭带隙，而纵向场则不存在带隙调制。对于带隙关闭的横向场临界强度随着条带宽度的增加而减小。相比之下，在多层 AMoS(2)NR 情况下，结果表明，横向和纵向电场都可以有效地减小带隙。然而，这两种场似乎对带隙表现出不同的调制效果。对于带隙关闭的纵向场临界强度随着层数的增加而减小，而横向场的临界强度几乎与其无关。
