The effects of chemical bonding on the topological property of half- Heusler compounds : first principle calculation

• Main Authors: Li, C., Zhao, Y. F., Chi, B. Q., Gong, Y. Y., Sun, Chang Qing
• Other Authors: School of Electrical and Electronic Engineering
• Format: Article
• Language: English
• Published: 2019
• Subjects: Engineering::Electrical and electronic engineering; Half-Heusler Compounds; Topological Insulator
• Online Access: https://hdl.handle.net/10356/105027; http://hdl.handle.net/10220/49514; http://dx.doi.org/10.1016/j.cocom.2014.08.002
• Institution: Nanyang Technological University

The dependence of (EΓ6–EΓ8) on the lattice constants has been studied for four half- Heusler compounds. First principle simulation was carried out to calculate the electronic structure and the obtained results were compared among different compounds. It is found that the change of (EΓ6–EΓ8) with str...