Connecting thermoelectric performance and topological-insulator behavior [electronic resource] : Bi<sub>2</sub>Te<sub>3</sub> and Bi<sub>2</sub>Te<sub>2</sub>Se from first principles

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Tác giả:

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

 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<
 sub>
 2<
 /sub>
 Te<
 sub>
 2<
 /sub>
 Se in relation to Bi<
 sub>
 2<
 /sub>
 Te<
 sub>
 3<
 /sub>
 . 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.
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