Electronic structures and thermoelectric properties of Sb-doped type-VIII clathrate Ba 8Ga 16Sn 30

Yasushi Kono, Koji Akai, Nobuyuki Ohya, Yuhta Saiga, Koichiro Suekuni, Toshiro Takabatake, Setsuo Yamamoto

Research output: Contribution to journalArticle

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Abstract

The type-VIII clathrate Ba 8Ga 16Sn 30 shows a high figure of merit (ZT) in the middle temperature range 470-670 K. ZT enhancement through Sb doping has recently been reported in p-type Ba 8Ga 16Sn 30. In this study, calculations to determine the electronic structures and thermoelectric properties of Sb-doped Ba 8Ga 16Sn 30 are performed using the WIEN2k code. The energy derivative of density of states [∂ρ(ε)/ ∂ε] ε=EF for valence band is lower in the Sb-doped Ba 8Ga 16Sn 30 than in non-Sb-doped one, though the density of states [ρ(ε)] ε-EF of both system are almost the same as that for Ba 8Ga 16Sn 30. Except for the signs, the calculated Seebeck coefficients for the p- and n-type Sb-doped and non-Sb-doped Ba 8Ga 16Sn 30 are similar.

Original languageEnglish
Pages (from-to)636-640
Number of pages5
JournalMaterials Transactions
Volume53
Issue number4
DOIs
Publication statusPublished - Apr 5 2012
Externally publishedYes

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Seebeck coefficient
clathrates
Valence bands
Electronic structure
Doping (additives)
electronic structure
Derivatives
Seebeck effect
figure of merit
valence
Temperature
augmentation
temperature
energy

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Electronic structures and thermoelectric properties of Sb-doped type-VIII clathrate Ba 8Ga 16Sn 30 . / Kono, Yasushi; Akai, Koji; Ohya, Nobuyuki; Saiga, Yuhta; Suekuni, Koichiro; Takabatake, Toshiro; Yamamoto, Setsuo.

In: Materials Transactions, Vol. 53, No. 4, 05.04.2012, p. 636-640.

Research output: Contribution to journalArticle

Kono, Yasushi ; Akai, Koji ; Ohya, Nobuyuki ; Saiga, Yuhta ; Suekuni, Koichiro ; Takabatake, Toshiro ; Yamamoto, Setsuo. / Electronic structures and thermoelectric properties of Sb-doped type-VIII clathrate Ba 8Ga 16Sn 30 In: Materials Transactions. 2012 ; Vol. 53, No. 4. pp. 636-640.
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AU - Suekuni, Koichiro

AU - Takabatake, Toshiro

AU - Yamamoto, Setsuo

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