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

IF 2.8 4区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-26 DOI:10.1007/s10854-025-14609-1

Suchitra Puthran, Ganesh Shridhar Hegde, A. N. Prabhu, Yen-Hui Chen, Y. K. Kuo, Vikash Mishra

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引用次数: 0

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 \(\overline{3 }\) 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 (Bi_0.96Sb_0.04)₂Se_2.7Te_0.3 crystal was reduced by a factor of ~ 8.0 compared to pristine BiSe₃. Additionally, the power factor and figure of merit of the (Bi_0.96Sb_0.04)₂Se_2.7Te_0.3 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.

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来源期刊

Journal of Materials Science: Materials in Electronics 工程技术-材料科学：综合

CiteScore

5.00

自引率

7.10%

发文量

1931

审稿时长

2 months

期刊介绍： The Journal of Materials Science: Materials in Electronics is an established refereed companion to the Journal of Materials Science. It publishes papers on materials and their applications in modern electronics, covering the ground between fundamental science, such as semiconductor physics, and work concerned specifically with applications. It explores the growth and preparation of new materials, as well as their processing, fabrication, bonding and encapsulation, together with the reliability, failure analysis, quality assurance and characterization related to the whole range of applications in electronics. The Journal presents papers in newly developing fields such as low dimensional structures and devices, optoelectronics including III-V compounds, glasses and linear/non-linear crystal materials and lasers, high Tc superconductors, conducting polymers, thick film materials and new contact technologies, as well as the established electronics device and circuit materials.