Density functional study of electronic and optical properties of ternary mixed chalcogenides topological insulators

• Main Authors: Shuaibu, Alhassan, Rahman, Md. Mahmudur, Zainuddin, Hishamuddin, Talib, Zainal Abidin
• Format: Article
• Language: English
• Published: Trans Tech Publications 2016
• Online Access: http://psasir.upm.edu.my/id/eprint/55438/1/Density%20functional%20study%20of%20electronic%20and%20optical%20properties%20of%20ternary%20mixed%20chalcogenides%20topological%20insulators.pdf; http://psasir.upm.edu.my/id/eprint/55438/

This paper presented a theoretical study of structural, electronic, and optical properties of the ternary mixed chalcogenides Topological Insulators with a formula M2X2Y (M = Bi, X = Te and Y= Se, S) using density functional theory (DFT) within the local density approximation (LDA). From the calcula...