Thermoelectric properties and crystal structure of type-III clathrate compounds in the Ba-Al-Ge system

Jung Hwan Kim; Norihiko L. Okamoto; Kyosuke Kishida; Katsushi Tanaka; Haruyuki Inui

doi:10.1063/1.2768040

Thermoelectric properties and crystal structure of type-III clathrate compounds in the Ba-Al-Ge system

Jung Hwan Kim, Norihiko L. Okamoto, Kyosuke Kishida, Katsushi Tanaka, Haruyuki Inui

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

The thermoelectric properties of type-III clathrate compounds in the Ba-Al-Ge system have been investigated as a function of Al content. The solid solubility of Al in the type-III clathrate compounds is determined to be slightly less than X=12 when expressed with the formula of Ba24 AlX Ge100-X. As the Al content increases, values of electrical resistivity and Seebeck coefficient increase, while that of lattice thermal conductivity decreases. The changes in electrical resistivity and Seebeck coefficient with the Al content are explained in terms of the change in the number of excess electrons upon alloying with Al, which can be described with the simple Zintl concept. The changes in lattice thermal conductivity with the Al content are explained in terms of the very low vibration frequency for the rattling motion of the Ba guest atom, which is caused by the increased size of the encapsulating cage of open dodecahedron upon alloying with Al.

Original language	English
Article number	034510
Journal	Journal of Applied Physics
Volume	102
Issue number	3
DOIs	https://doi.org/10.1063/1.2768040
Publication status	Published - 2007
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1063/1.2768040

Cite this

@article{fe3ef2253afa40c888de5de20ed39076,

title = "Thermoelectric properties and crystal structure of type-III clathrate compounds in the Ba-Al-Ge system",

abstract = "The thermoelectric properties of type-III clathrate compounds in the Ba-Al-Ge system have been investigated as a function of Al content. The solid solubility of Al in the type-III clathrate compounds is determined to be slightly less than X=12 when expressed with the formula of Ba24 AlX Ge100-X. As the Al content increases, values of electrical resistivity and Seebeck coefficient increase, while that of lattice thermal conductivity decreases. The changes in electrical resistivity and Seebeck coefficient with the Al content are explained in terms of the change in the number of excess electrons upon alloying with Al, which can be described with the simple Zintl concept. The changes in lattice thermal conductivity with the Al content are explained in terms of the very low vibration frequency for the rattling motion of the Ba guest atom, which is caused by the increased size of the encapsulating cage of open dodecahedron upon alloying with Al.",

author = "Kim, {Jung Hwan} and Okamoto, {Norihiko L.} and Kyosuke Kishida and Katsushi Tanaka and Haruyuki Inui",

note = "Funding Information: This work was supported by Grant-in-Aid for Scientific Research (A) from the Ministry of Education, Science and Culture and Technology (MEXT), Japan (No. 18206074) and in part by the 21st Century COE (Center of Excellence) Program on United Approach for New Materials Science from the Ministry of Education, Science and Culture. One of the authors (J.H.K.) expresses his great appreciation for the Monbusho scholarship form the Ministry of Education, Science and Culture and Technology (MEXT), Japan. One of the authors (N.L.O.) also greatly appreciates the support from Research Fellowships of the Japan Society for the Promotion of Science for Young Scientists. The synchrotron radiation experiments were performed at Spring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2006B1325).",

year = "2007",

doi = "10.1063/1.2768040",

language = "English",

volume = "102",

journal = "Journal of Applied Physics",

issn = "0021-8979",

publisher = "American Institute of Physics Publising LLC",

number = "3",

}

TY - JOUR

T1 - Thermoelectric properties and crystal structure of type-III clathrate compounds in the Ba-Al-Ge system

AU - Kim, Jung Hwan

AU - Okamoto, Norihiko L.

AU - Kishida, Kyosuke

AU - Tanaka, Katsushi

AU - Inui, Haruyuki

N1 - Funding Information: This work was supported by Grant-in-Aid for Scientific Research (A) from the Ministry of Education, Science and Culture and Technology (MEXT), Japan (No. 18206074) and in part by the 21st Century COE (Center of Excellence) Program on United Approach for New Materials Science from the Ministry of Education, Science and Culture. One of the authors (J.H.K.) expresses his great appreciation for the Monbusho scholarship form the Ministry of Education, Science and Culture and Technology (MEXT), Japan. One of the authors (N.L.O.) also greatly appreciates the support from Research Fellowships of the Japan Society for the Promotion of Science for Young Scientists. The synchrotron radiation experiments were performed at Spring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2006B1325).

PY - 2007

Y1 - 2007

N2 - The thermoelectric properties of type-III clathrate compounds in the Ba-Al-Ge system have been investigated as a function of Al content. The solid solubility of Al in the type-III clathrate compounds is determined to be slightly less than X=12 when expressed with the formula of Ba24 AlX Ge100-X. As the Al content increases, values of electrical resistivity and Seebeck coefficient increase, while that of lattice thermal conductivity decreases. The changes in electrical resistivity and Seebeck coefficient with the Al content are explained in terms of the change in the number of excess electrons upon alloying with Al, which can be described with the simple Zintl concept. The changes in lattice thermal conductivity with the Al content are explained in terms of the very low vibration frequency for the rattling motion of the Ba guest atom, which is caused by the increased size of the encapsulating cage of open dodecahedron upon alloying with Al.

AB - The thermoelectric properties of type-III clathrate compounds in the Ba-Al-Ge system have been investigated as a function of Al content. The solid solubility of Al in the type-III clathrate compounds is determined to be slightly less than X=12 when expressed with the formula of Ba24 AlX Ge100-X. As the Al content increases, values of electrical resistivity and Seebeck coefficient increase, while that of lattice thermal conductivity decreases. The changes in electrical resistivity and Seebeck coefficient with the Al content are explained in terms of the change in the number of excess electrons upon alloying with Al, which can be described with the simple Zintl concept. The changes in lattice thermal conductivity with the Al content are explained in terms of the very low vibration frequency for the rattling motion of the Ba guest atom, which is caused by the increased size of the encapsulating cage of open dodecahedron upon alloying with Al.

UR - http://www.scopus.com/inward/record.url?scp=34548048626&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34548048626&partnerID=8YFLogxK

U2 - 10.1063/1.2768040

DO - 10.1063/1.2768040

M3 - Article

AN - SCOPUS:34548048626

SN - 0021-8979

VL - 102

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 3

M1 - 034510

ER -

Thermoelectric properties and crystal structure of type-III clathrate compounds in the Ba-Al-Ge system

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this