The effects of surface bond relaxation on electronic structure of Sb2Te3 nano-films by first-principles calculation

• Main Authors: Li, C., Zhao, Y. F., Fu, C. X., Chi, B. Q., Gong, Y. Y., Sun, C. Q.
• Other Authors: School of Electrical and Electronic Engineering
• Format: Article
• Language: English
• Published: 2014
• Subjects: DRNTU::Engineering::Electrical and electronic engineering::Nanoelectronics
• Online Access: https://hdl.handle.net/10356/101822; http://hdl.handle.net/10220/24211
• Institution: Nanyang Technological University

The effects of vertical compressive stress on Sb2Te3 nano-films have been investigated by the first principles calculation, including stability, electronic structure, crystal structure, and bond order. It is found that the band gap of nano-film is sensitive to the stress in Sb2Te3 nano-film and the...