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First-Principles Study of Silicon-Tin Alloys as a High-Temperature Thermoelectric Material.

ABSTRACT: Silicon-germanium (SiGe) alloys have sparked a great deal of attention due to their exceptional high-temperature thermoelectric properties. Significant effort has been expended in the quest for high-temperature thermoelectric materials. Combining density functional theory and electron-phonon coupling theory, it was discovered that silicon-tin (SiSn) alloys have remarkable high-temperature thermoelectric performance. SiSn alloys have a figure of merit above 2.0 at 800 K, resulting from their high conduction band convergence and low lattice thermal conductivity. Further evaluations reveal that Si_0.75Sn_0.25 is the best choice for developing the optimum ratio as a thermoelectric material. These findings will provide a basis for further studies on SiSn alloys as a potential new class of high-performance thermoelectric materials.

SUBMITTER: Huang S

PROVIDER: S-EPMC9229319 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature

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First-Principles Study of Silicon-Tin Alloys as a High-Temperature Thermoelectric Material.

Huang Shan S Ning Suiting S Xiong Rui R

Materials (Basel, Switzerland) 20220609 12

Silicon-germanium (SiGe) alloys have sparked a great deal of attention due to their exceptional high-temperature thermoelectric properties. Significant effort has been expended in the quest for high-temperature thermoelectric materials. Combining density functional theory and electron-phonon coupling theory, it was discovered that silicon-tin (SiSn) alloys have remarkable high-temperature thermoelectric performance. SiSn alloys have a figure of merit above 2.0 at 800 K, resulting from their high ...[more]

PMID: 35744164

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