Heat capacity studies on rattling vibrations in Ba-TM-Ge type i clathrates

Jingtao Xu; Satoshi Heguri; Yoichi Tanabe; Gang Mu; Jiazhen Wu; Katsumi Tanigaki

doi:10.1016/j.jpcs.2011.11.044

Heat capacity studies on rattling vibrations in Ba-TM-Ge type i clathrates

Jingtao Xu, Satoshi Heguri, Yoichi Tanabe, Gang Mu, Jiazhen Wu, Katsumi Tanigaki

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

6 Citations (Scopus)

Abstract

Type I clathrates have a cage structure formed by IV group elements and can encapsulate alkali or rare alkali atoms inside the cages. The potential inside the cages strongly depends on the cage formation and encapsulated atoms. In this paper, we studied the heat capacity of Ba-TM-Ge clathrates. We found that with increase of the disorder in the framework, the lattice constant increases, giving larger free space inside the cages. This change decreases the Einstein energies of the encapsulated atoms and increases the rattling states.

Original language	English
Pages (from-to)	1521-1523
Number of pages	3
Journal	Journal of Physics and Chemistry of Solids
Volume	73
Issue number	12
DOIs	https://doi.org/10.1016/j.jpcs.2011.11.044
Publication status	Published - 2012 Dec

Keywords

A. Intermetallic compounds
A. Nanostructures
D. Anharmonicity
D. Specific heat

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.1016/j.jpcs.2011.11.044

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title = "Heat capacity studies on rattling vibrations in Ba-TM-Ge type i clathrates",

abstract = "Type I clathrates have a cage structure formed by IV group elements and can encapsulate alkali or rare alkali atoms inside the cages. The potential inside the cages strongly depends on the cage formation and encapsulated atoms. In this paper, we studied the heat capacity of Ba-TM-Ge clathrates. We found that with increase of the disorder in the framework, the lattice constant increases, giving larger free space inside the cages. This change decreases the Einstein energies of the encapsulated atoms and increases the rattling states.",

keywords = "A. Intermetallic compounds, A. Nanostructures, D. Anharmonicity, D. Specific heat",

author = "Jingtao Xu and Satoshi Heguri and Yoichi Tanabe and Gang Mu and Jiazhen Wu and Katsumi Tanigaki",

note = "Funding Information: This work was supported by Creation of Nanodevices and Systems Based on New Physical Phenomena and Functional Principles of CREST of JST. The present work is also partially supported by the Tohoku University 21 century COE program “Particle-Matter Hierarchy” of MEXT Japan. This work was performed by a Grant-in-Aid from the Ministry of Education, Culture, Sports, Science, and Technology of Japan , Nos. 13304031 and 17038001 .",

year = "2012",

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doi = "10.1016/j.jpcs.2011.11.044",

language = "English",

volume = "73",

pages = "1521--1523",

journal = "Journal of Physics and Chemistry of Solids",

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T1 - Heat capacity studies on rattling vibrations in Ba-TM-Ge type i clathrates

AU - Xu, Jingtao

AU - Heguri, Satoshi

AU - Tanabe, Yoichi

AU - Mu, Gang

AU - Wu, Jiazhen

AU - Tanigaki, Katsumi

N1 - Funding Information: This work was supported by Creation of Nanodevices and Systems Based on New Physical Phenomena and Functional Principles of CREST of JST. The present work is also partially supported by the Tohoku University 21 century COE program “Particle-Matter Hierarchy” of MEXT Japan. This work was performed by a Grant-in-Aid from the Ministry of Education, Culture, Sports, Science, and Technology of Japan , Nos. 13304031 and 17038001 .

PY - 2012/12

Y1 - 2012/12

N2 - Type I clathrates have a cage structure formed by IV group elements and can encapsulate alkali or rare alkali atoms inside the cages. The potential inside the cages strongly depends on the cage formation and encapsulated atoms. In this paper, we studied the heat capacity of Ba-TM-Ge clathrates. We found that with increase of the disorder in the framework, the lattice constant increases, giving larger free space inside the cages. This change decreases the Einstein energies of the encapsulated atoms and increases the rattling states.

AB - Type I clathrates have a cage structure formed by IV group elements and can encapsulate alkali or rare alkali atoms inside the cages. The potential inside the cages strongly depends on the cage formation and encapsulated atoms. In this paper, we studied the heat capacity of Ba-TM-Ge clathrates. We found that with increase of the disorder in the framework, the lattice constant increases, giving larger free space inside the cages. This change decreases the Einstein energies of the encapsulated atoms and increases the rattling states.

KW - A. Intermetallic compounds

KW - A. Nanostructures

KW - D. Anharmonicity

KW - D. Specific heat

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DO - 10.1016/j.jpcs.2011.11.044

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VL - 73

SP - 1521

EP - 1523

JO - Journal of Physics and Chemistry of Solids

JF - Journal of Physics and Chemistry of Solids

SN - 0022-3697

IS - 12

ER -

Heat capacity studies on rattling vibrations in Ba-TM-Ge type i clathrates

Abstract

Keywords

ASJC Scopus subject areas

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