Hybrid-Density Functional Theory Study on Band Structures of Tetradymite-Bi2Te3, Sb2Te3, Bi2Se3, and Sb2Se3 Thermoelectric Materials

Sudong Park, Byungki Ryu

The low energy band structure near the band gap determines the electrical performance of thermoelectric materials. Here, by using the hybrid-density functional theory (hybrid-DFT)…