First-principles study of thermoelectric performance of pure and Ni-doped Bi2Se3 and Bi2Te3 using density functional theory / Muhammad Zamir Mohyedin

• Main Author: Mohyedin, Muhammad Zamir
• Format: Thesis
• Language: English
• Published: 2020
• Subjects: Electric controllers. Rheostats. Regulators. Starters
• Online Access: https://ir.uitm.edu.my/id/eprint/32428/1/32428.pdf; https://ir.uitm.edu.my/id/eprint/32428/

First principles study-based density functional theory on structural, electronic and thermoelectric properties of Bi2Se3 and Bi2Te3 materials was conducted using CASTEP and WIEN2K computer code within the exchange-correlation of local density approximation (LDA). Calculations of electronic propertie...