Antimonene nanoribbon band-gap expansion : bond contraction and edge quantum entrapment

• Main Authors: Wang, Sanmei, Zhang, Xi, Liu, Yonghui, Huang, Yongli, Sun, Changqing
• Other Authors: School of Electrical and Electronic Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Electrical and electronic engineering; Bond Relaxation; Bandgap
• Online Access: https://hdl.handle.net/10356/142319
• Institution: Nanyang Technological University

Combining the bond-order-length-strength corrected tight-binding (BOLS-TB) theory and the density functional theory (DFT) calculation, we clarified the energetic origin of the width-dependent band gap (Eg) expansion of the zigzag and armchair-edged antimonene nanoribbons (SbNRs) terminated by atomic...