Investigation of electronic properties and spin-orbit coupling effects on passivated stanene nanosheet: A first-principles. study

The structural stability and electronic properties of stanene nanosheets passivated with hydrogen and fluorine along the zigzag borders are investigated using density functional theory with spin-orbit coupling (SOC) effects. The formation energy is used to study the structural stability of stanene nanosheet. The electronic properties of stanene nanosheet are discussed in terms of density of states spectrum and band structure. Moreover, due to the influence of SOC effects, the bare stanene nanosheet band gap opens to 0.177 eV. The findings of the present work confirms that substitution of arsenic atom in stanene nanosheet with passivation of hydrogen & fluorine and SOC effects influence the electronic properties of stanene nanosheet in which the stanene nanosheet can be fine-tuned for chemical sensor and spintronic devices. (C) 2017 Elsevier Ltd. All rights reserved.