Islam A S M Jannatul, Islam Md Sherajul, Hasan Md Sayed, Hosen Kamal, Akbar Md Shahadat, Bhuiyan Ashraful G, Park Jeongwon
Department of Electrical and Electronic Engineering, Khulna University of Engineering &Technology Khulna 9203 Bangladesh
Department of Electrical and Computer Engineering, University of Minnesota Twin Cities Minneapolis MN 55455 USA.
RSC Adv. 2023 Jul 27;13(33):22800-22813. doi: 10.1039/d3ra03825d. eCollection 2023 Jul 26.
The orientations of crystal growth significantly affect the operating characteristics of elastic and inelastic deformation in semiconductor nanowires (NWs). This work uses molecular dynamics simulation to extensively investigate the orientation-dependent mechanical properties and fracture mechanisms of zinc blende ZnTe NWs. Three different crystal orientations, including [100], [110], and [111], coupled with temperatures (100 to 600 K) on the fracture stress and elastic modulus, are thoroughly studied. In comparison to the [110] and [100] orientations, the [111]-oriented ZnTe NW exhibits a high fracture stress. The percentage decrease in fracture strength exhibits a pronounced variation with increasing temperature, with the highest magnitude observed in the [100] direction and the lowest magnitude observed in the [110] direction. The elastic modulus dropped by the largest percentage in the [111] direction as compared to the [100] direction. Most notably, the [110]-directed ZnTe NW deforms unusually as the strain rate increases, making it more sensitive to strain rate than other orientations. The strong strain rate sensitivity results from the unusual short-range and long-range order crystals appearing due to dislocation slipping and partial twinning. Moreover, the {111} plane is the principal cleavage plane for all orientations, creating a dislocation slipping mechanism at room temperature. The {100} plane becomes active and acts as another fundamental cleavage plane at increasing temperatures. This in-depth analysis paves the way for advancing efficient and reliable ZnTe NWs-based nanodevices and nanomechanical systems.
晶体生长的取向显著影响半导体纳米线（NWs）中弹性和非弹性变形的操作特性。这项工作使用分子动力学模拟广泛研究了闪锌矿ZnTe纳米线的取向依赖性力学性能和断裂机制。全面研究了三种不同的晶体取向，包括[100]、[110]和[111]，以及温度（100至600K）对断裂应力和弹性模量的影响。与[110]和[100]取向相比，[111]取向的ZnTe纳米线表现出较高的断裂应力。断裂强度的百分比下降随温度升高呈现出明显变化，在[100]方向观察到的幅度最高，在[110]方向观察到的幅度最低。与[100]方向相比，[111]方向的弹性模量下降百分比最大。最值得注意的是，随着应变速率增加，[110]取向的ZnTe纳米线会发生异常变形，使其对应变速率比其他取向更敏感。这种强应变速率敏感性源于位错滑移和部分孪晶导致的异常短程和长程有序晶体。此外，{111}面是所有取向的主要解理面，在室温下产生位错滑移机制。在温度升高时，{100}面变得活跃并作为另一个基本解理面起作用。这种深入分析为推进高效可靠的基于ZnTe纳米线的纳米器件和纳米机械系统铺平了道路。
