Reinvestigation of thermoelectric properties of n- and p-type Ba 8-d Au x Si46-x-y clathrate

Shinji Munetoh, Makoto Saisho, Takuya Oka, Toshiko Osada, Hideshi Miura, Osamu Furukimi

研究成果: ジャーナルへの寄稿記事

3 引用 (Scopus)

抄録

We have synthesized n- and p-type clathrates Ba8-d Au x Si46-x-y with various Au contents (4.6 < x < 6.0) by arc-melting, annealing at 1173 K, and spark plasma sintering at 1073 K. The Au compositions found by wavelength-dispersive x-ray spectrometry for the synthesized samples were slightly lower than the nominal compositions. Ba 7.8Au4.6Si41.4 and Ba7.7Au 4.9Si41.1 samples showed n- and p-type conduction, respectively. According to the electron count (Ba2+) 8Au(3-)5.33Si40.67, the clathrate composition with x = 5.33 is expected to be an intrinsic semiconductor. Our experimental results show that increase of the Au composition causes a transition from n-type to p-type conduction between x = 4.6 and 4.9. We have also calculated the band structures of the Ba8Au x Si 46-x clathrate including a vacancy by ab initio calculation based on density functional theory with structure optimization. It was found that the vacancy behaves like an electron acceptor and the numbers of vacancies at 24k sites for the synthesized Ba8Au x Si46-x-y clathrates can be estimated as ∼0.4 in a unit cell.

元の言語英語
ページ(範囲)2430-2434
ページ数5
ジャーナルJournal of Electronic Materials
43
発行部数6
DOI
出版物ステータス出版済み - 1 1 2014

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clathrates
Vacancies
Chemical analysis
conduction
arc melting
Spark plasma sintering
Electrons
sparks
Band structure
Spectrometry
Density functional theory
sintering
Melting
electrons
Annealing
Semiconductor materials
density functional theory
X rays
Wavelength
optimization

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering
  • Materials Chemistry

これを引用

Reinvestigation of thermoelectric properties of n- and p-type Ba 8-d Au x Si46-x-y clathrate. / Munetoh, Shinji; Saisho, Makoto; Oka, Takuya; Osada, Toshiko; Miura, Hideshi; Furukimi, Osamu.

:: Journal of Electronic Materials, 巻 43, 番号 6, 01.01.2014, p. 2430-2434.

研究成果: ジャーナルへの寄稿記事

Munetoh, Shinji ; Saisho, Makoto ; Oka, Takuya ; Osada, Toshiko ; Miura, Hideshi ; Furukimi, Osamu. / Reinvestigation of thermoelectric properties of n- and p-type Ba 8-d Au x Si46-x-y clathrate. :: Journal of Electronic Materials. 2014 ; 巻 43, 番号 6. pp. 2430-2434.
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