Abstract The influences of four different types of atoms (H, F, Cl and Br) on the elastic and plastic properties of antimonene nanosheet are investigated in this paper using the density functional theory. For this purpose, the SIESTA software is used. It is concluded that Young's modulus of the antimonene nanosheet under the uniaxial strain and bulk modulus under the biaxial strain significantly decreases by the adsorption. Moreover, it is shown that due to the negligible difference in the Young's moduli of these structures they have isotropic behavior. Furthermore, the influence of the adsorption on the plastic properties of the antimonene nanosheet is studied by extending the loading until the indication of the plastic behavior. It is shown that the yield strain of the antimonene nanosheet under the uniaxial strain decreases by the adsorption. However, interestingly, it is observed that the adsorption of named atoms increase the plastic strain under the biaxial loading.

中文翻译：

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Sb 和 SbX（X=H、F、Cl 和 Br）单层的结构和机械性能

摘要 本文采用密度泛函理论研究了四种不同类型的原子（H、F、Cl和Br）对锑烯纳米片弹性和塑性性能的影响。为此，使用 SIESTA 软件。结论是单轴应变下锑烯纳米片的杨氏模量和双轴应变下的体积模量因吸附而显着降低。此外，结果表明，由于这些结构的杨氏模量差异可忽略不计，因此它们具有各向同性的行为。此外，通过扩展负载直到指示出塑性行为来研究吸附对锑烯纳米片塑性的影响。结果表明，单轴应变下锑烯纳米片的屈服应变因吸附而降低。然而，有趣的是，观察到命名原子的吸附增加了双轴加载下的塑性应变。