Niquet Y M
Département de Recherche Fondamentale sur la Matière Condensée, SP2M/L_Sim, CEA Grenoble, 38054 Grenoble Cedex 9, France.
Nano Lett. 2007 Apr;7(4):1105-9. doi: 10.1021/nl0629097. Epub 2007 Mar 27.
We compute the structural and electronic properties of core-shell InAs/GaAs nanowire superlattices using Keating's valence force field and a sp3d5s* tight-binding model. We show that the GaAs shell limits strain relaxation but homogenizes the hydrostatic strain distribution in the InAs layers. This prevents the formation of a strain-induced well in the conduction band at the surface of the nanowires, which was shown to trap the electrons in thin InAs layers (Phys. Rev. B 2006, 74, 155304). The shell, however, enhances the piezoelectric field, which increases the separation between the electrons and holes in thick InAs layers. These results emphasize the intricate links between the structural and electronic properties of strained nanowire heterostructures.
我们使用基廷价键力场和sp3d5s*紧束缚模型计算了核壳结构的InAs/GaAs纳米线超晶格的结构和电子性质。我们表明,GaAs壳层限制了应变弛豫,但使InAs层中的静水应变分布均匀化。这阻止了纳米线表面导带中应变诱导阱的形成,而在薄InAs层中该阱被证明会捕获电子(《物理评论B》2006年,74卷,155304页)。然而,壳层增强了压电场,这增加了厚InAs层中电子和空穴之间的分离。这些结果强调了应变纳米线异质结构的结构和电子性质之间的复杂联系。