Electronic structure and transport in the low-temperature thermoelectric CsBi4Te6:: Semiclassical transport equations

被引：76

作者：

Lykke, Lars ^{[1
]}

Iversen, Bo B. ^{[1
]}

Madsen, Georg K. H. ^{[1
]}

机构：

[1] Univ Aarhus, Dept Chem, DK-8000 Aarhus C, Denmark

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.73.195121

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The band structure of the low-temperature thermoelectric material, CsBi4Te6, is calculated and analyzed using the semiclassic transport equations. It is shown that to obtain a quantitative agreement with measured transport properties, a band gap of 0.08 eV must be enforced. A gap in reasonable agreement with experiment was obtained using the generalized gradient functional of Engel and Vosko [E. Engel and S. H. Vosko, Phys. Rev. B 47, 13164 (1993)]. We found that the experimental p-type sample has a carrier concentration close to optimal. Furthermore, the conduction bands have a form equally well suited for thermoelectric properties and we predict that an optimally doped n-type compound could have thermoelectric properties exceeding those of the p type.

引用

页数：6

共 36 条

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