Connecting thermoelectric performance and topological-insulator behavior [electronic resource] : Bi₂Te₃ and Bi₂Te₂Se from first principles

• Ngôn ngữ: eng
• Ký hiệu phân loại: 538.9 Magnetism
• Thông tin xuất bản: Washington, D.C. : Oak Ridge, Tenn. : United States. Dept. of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2015
• Mô tả vật lý: Size: Article No. 014004 : , digital, PDF file.
• Bộ sưu tập: Metadata
• ID: 255860
• Chủ đề: 1. 30 direct energy conversion; 2. 32 energy conservation, consumption, and utilization; 3. 36 materials science

Tóm tắt

 Thermoelectric performance is of interest for numerous applications such as waste-heat recovery and solid-state energy conversion and will be seen to be closely connected to topological-insulator behavior. In this paper, we here report first-principles transport and defect calculations for Bi<
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 2<
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 Te<
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 2<
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 Se in relation to Bi<
 sub>
 2<
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 Te<
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 3<
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 . The two compounds are found to contain remarkably different electronic structures in spite of being isostructural and isoelectronic. We also discuss these results in terms of the topological-insulator characteristics of these compounds.