Electronic structure and thermoelectric properties of si-based clathrate compounds

K. Koga, K. Suzuki, M. Fukamoto, H. Anno, T. Tanaka, S. Yamamoto

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Thermoelectric properties of Au-substituted Si-based clathrates, Ba 8AuGa 13Si 32 and Ba 6A 2AuGa x Si 45-x (A = Sr, Eu, x = 13, 14), were experimentally and theoretically investigated. The polycrystalline samples of the Au-substituted Si-based clathrates were prepared by using the spark plasma sintering technique. The electronic structure of Ba 6A 2AuGa 13Si 32 was theoretically calculated by ab initio calculations, and the thermoelectric properties of Ba 6A 2AuGa x Si 45-x were estimated through the calculated electronic structure. The effective mass of Ba 6A 2AuGa x Si 45-x was experimentally estimated to be greater than that of Ba 8AuGa 13Si 32. Experimentally observed electronic properties agree with the calculations for Ba 6A 2AuGa x Si 45-x. The maximum ZT value of Ba 6Sr 2AuGa 14Ge 31 is about 0.5 at 850 K. The calculated thermoelectric properties agree very well with the experimental results in the range from room temperature to 900 K.

Original languageEnglish
Pages (from-to)1427-1432
Number of pages6
JournalJournal of Electronic Materials
Volume38
Issue number7
DOIs
Publication statusPublished - Jul 1 2009
Externally publishedYes

Fingerprint

clathrates
Electronic structure
electronic structure
Spark plasma sintering
Electronic properties
sparks
sintering
Temperature
room temperature
electronics

All Science Journal Classification (ASJC) codes

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

Cite this

Electronic structure and thermoelectric properties of si-based clathrate compounds. / Koga, K.; Suzuki, K.; Fukamoto, M.; Anno, H.; Tanaka, T.; Yamamoto, S.

In: Journal of Electronic Materials, Vol. 38, No. 7, 01.07.2009, p. 1427-1432.

Research output: Contribution to journalArticle

Koga, K. ; Suzuki, K. ; Fukamoto, M. ; Anno, H. ; Tanaka, T. ; Yamamoto, S. / Electronic structure and thermoelectric properties of si-based clathrate compounds. In: Journal of Electronic Materials. 2009 ; Vol. 38, No. 7. pp. 1427-1432.
@article{733bc29cf15b4f65a31466deb597d972,
title = "Electronic structure and thermoelectric properties of si-based clathrate compounds",
abstract = "Thermoelectric properties of Au-substituted Si-based clathrates, Ba 8AuGa 13Si 32 and Ba 6A 2AuGa x Si 45-x (A = Sr, Eu, x = 13, 14), were experimentally and theoretically investigated. The polycrystalline samples of the Au-substituted Si-based clathrates were prepared by using the spark plasma sintering technique. The electronic structure of Ba 6A 2AuGa 13Si 32 was theoretically calculated by ab initio calculations, and the thermoelectric properties of Ba 6A 2AuGa x Si 45-x were estimated through the calculated electronic structure. The effective mass of Ba 6A 2AuGa x Si 45-x was experimentally estimated to be greater than that of Ba 8AuGa 13Si 32. Experimentally observed electronic properties agree with the calculations for Ba 6A 2AuGa x Si 45-x. The maximum ZT value of Ba 6Sr 2AuGa 14Ge 31 is about 0.5 at 850 K. The calculated thermoelectric properties agree very well with the experimental results in the range from room temperature to 900 K.",
author = "K. Koga and K. Suzuki and M. Fukamoto and H. Anno and T. Tanaka and S. Yamamoto",
year = "2009",
month = "7",
day = "1",
doi = "10.1007/s11664-009-0730-6",
language = "English",
volume = "38",
pages = "1427--1432",
journal = "Journal of Electronic Materials",
issn = "0361-5235",
publisher = "Springer New York",
number = "7",

}

TY - JOUR

T1 - Electronic structure and thermoelectric properties of si-based clathrate compounds

AU - Koga, K.

AU - Suzuki, K.

AU - Fukamoto, M.

AU - Anno, H.

AU - Tanaka, T.

AU - Yamamoto, S.

PY - 2009/7/1

Y1 - 2009/7/1

N2 - Thermoelectric properties of Au-substituted Si-based clathrates, Ba 8AuGa 13Si 32 and Ba 6A 2AuGa x Si 45-x (A = Sr, Eu, x = 13, 14), were experimentally and theoretically investigated. The polycrystalline samples of the Au-substituted Si-based clathrates were prepared by using the spark plasma sintering technique. The electronic structure of Ba 6A 2AuGa 13Si 32 was theoretically calculated by ab initio calculations, and the thermoelectric properties of Ba 6A 2AuGa x Si 45-x were estimated through the calculated electronic structure. The effective mass of Ba 6A 2AuGa x Si 45-x was experimentally estimated to be greater than that of Ba 8AuGa 13Si 32. Experimentally observed electronic properties agree with the calculations for Ba 6A 2AuGa x Si 45-x. The maximum ZT value of Ba 6Sr 2AuGa 14Ge 31 is about 0.5 at 850 K. The calculated thermoelectric properties agree very well with the experimental results in the range from room temperature to 900 K.

AB - Thermoelectric properties of Au-substituted Si-based clathrates, Ba 8AuGa 13Si 32 and Ba 6A 2AuGa x Si 45-x (A = Sr, Eu, x = 13, 14), were experimentally and theoretically investigated. The polycrystalline samples of the Au-substituted Si-based clathrates were prepared by using the spark plasma sintering technique. The electronic structure of Ba 6A 2AuGa 13Si 32 was theoretically calculated by ab initio calculations, and the thermoelectric properties of Ba 6A 2AuGa x Si 45-x were estimated through the calculated electronic structure. The effective mass of Ba 6A 2AuGa x Si 45-x was experimentally estimated to be greater than that of Ba 8AuGa 13Si 32. Experimentally observed electronic properties agree with the calculations for Ba 6A 2AuGa x Si 45-x. The maximum ZT value of Ba 6Sr 2AuGa 14Ge 31 is about 0.5 at 850 K. The calculated thermoelectric properties agree very well with the experimental results in the range from room temperature to 900 K.

UR - http://www.scopus.com/inward/record.url?scp=67650502142&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=67650502142&partnerID=8YFLogxK

U2 - 10.1007/s11664-009-0730-6

DO - 10.1007/s11664-009-0730-6

M3 - Article

AN - SCOPUS:67650502142

VL - 38

SP - 1427

EP - 1432

JO - Journal of Electronic Materials

JF - Journal of Electronic Materials

SN - 0361-5235

IS - 7

ER -