journal article·2023-10-01Open access

Anharmonic effect on the vibrational properties of pristine and Co-doped β-FeSi2 semiconductors

Kai Zhang, Xiao-Long Du, Hao Yu, Ziyu Cao, Guangyou Fang, Tianwu Wang, Xiao-Jia Chen

AIP Advances· Volume 13· Issue 10

Abstract

The strength of the phonon anharmonic effect of the pristine FeSi2 and Co-doped Fe0.94Co0.06Si2 is investigated by a Raman scattering study on the vibrational properties of those materials in the temperature range of 300–1523 K. All the vibrational modes exhibit significant redshifts with increasing temperature, and their spectral widths increase simultaneously. The structure transition from the semiconducting β phase to the metallic α phase is evidenced by the sudden disappearance of the vibrational modes. The extended Klemens model is applied to study the anharmonic effect on the phonon frequency shift and damping constant, and the four-phonon decaying process is expected to be the dominant one after doping the metal Co. Such an enhancement is also suggested contributing to the reduction of the thermal conductivity in Fe0.94Co0.06Si2. In addition, the vibrational properties of the mode at 250 cm−1 are more sensitive to the anharmonicity effect than that of the mode at 195 cm−1. This work provides valuable insights for understanding the high-order anharmonic effects in thermoelectric materials, especially in chemically doped materials.
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Research context

OpenAlex topics: Semiconductor materials and interfaces · Surface and Thin Film Phenomena · Advanced Thermoelectric Materials and Devices

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

GBA Branch of Aerospace Information Research Institute, Chinese Academy of Sciences 1 , Guangzhou 510700, China

Guangdong Provincial Key Laboratory of Terahertz Quantum Electromagnetics 2 , Guangzhou 510700, China

State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences 3 , Shanghai 200050, China

School of Science, Harbin Institute of Technology 4 , Shenzhen 518055, China

Center for Quantum Materials and Superconductivity (CQMS) and Department of Physics, Sungkyunkwan University 5 , Suwon 16419, Republic of Korea

Funding

National Natural Science Foundation of China · Key Research and Development Program of Guangdong Province · Shenzhen Science and Technology Program · Basic Research Program of Shenzhen · Science and Technology Planning Project of Guangdong Province · Guangzhou Basic and Applied Basic Research Project

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