On the elastic and plastic properties of the bismuthene adsorbed by H, F, Cl and Br atoms

Abstract

The density functional theory is used here to investigate the elastic and plastic properties of the pristine and adsorbed bismuthene. The H, F, Cl and Br atoms are considered as the adsorbing atoms. The elastic moduli of the pristine and adsorbed nanosheet under uniaxial loading and their bulk moduli under biaxial strain are computed. It is shown that, adsorbing the bismuthene nanosheet by the mentioned atoms leads to decreasing its elastic and bulk moduli. The influence of the adsorption on the elastic modulus of the bismuthene is more prominent than its effect of the bulk modulus. Furthermore, it is shown that the yield strain of the bismuthene nanosheet under the uniaxial loading decreases by the adsorption. For the yield strain under the biaxial loading, a unique behavior is not observed. © 2019 Elsevier Ltd