An insight into experimental and theoretical thermoelectric property of antimony and tellurium-doped Bi2Se3 single crystals

Document Type

Article

Publication Title

Journal of Materials Science Materials in Electronics

Abstract

The thermoelectric properties of Bi2Se3 single crystals were investigated with Sb and Te co-doping using a modified vertical Bridgman method, complemented by theoretical studies. X-ray diffraction confirmed the rhombohedral crystal structure with an R 3¯ m space group. High-resolution X-ray diffraction (HR-XRD) analysis revealed a high degree of periodicity, threefold symmetry, and c-axis growth through θ − 2θ scans. Hall effect and Seebeck coefficient measurements indicated n-type conductivity across all samples, with a carrier concentration of approximately 1025 m−3. At 300 K, the electrical resistivity of the (Bi0.96Sb0.04)2Se2.7Te0.3 crystal was reduced by a factor of ~ 8.0 compared to pristine BiSe3. Additionally, the power factor and figure of merit of the (Bi0.96Sb0.04)2Se2.7Te0.3 compound improved by 3 times and 1.2 times, respectively. Theoretical studies using density functional theory (DFT) supported these experimental findings, showing that substituting Sb in Bi2Se3 enhances its electrical properties.

DOI

10.1007/s10854-025-14609-1

Publication Date

3-1-2025

This document is currently not available here.

Share

COinS