Electronic structure and transport properties of Cu-deficient kuramite Cu3-xSnS4

Yosuke Goto; Yuki Sakai; Yoichi Kamihara; Masanori Matoba

doi:10.7567/JJAP.54.021801

Electronic structure and transport properties of Cu-deficient kuramite Cu_3-xSnS₄

Yosuke Goto
, Yuki Sakai
, Yoichi Kamihara
, Masanori Matoba

物理情報工学科

研究成果: Article › 査読

12 被引用数 (Scopus)

抄録

Electrical and thermal transport properties of Cu-deficient kuramite Cu_3-xSnS₄ (CTS) was examined as a possible earth-abundant thermoelectric material. Crystallographic structure of CTS was characterized by partial disorder between Cu and Sn. In contrast to semiconducting electrical transport of related compounds, such as Cu₂ZnSnS₄ and Cu₃SbS₄, metallic conduction with an electrical resistivity of 0.4mΩcm and a carrier concentration of 3 x 10²¹ cm^-3 was observed at 300 K. Lattice thermal conductivity was calculated at ∼2.6Wm^-1 K^-1, which was probably reduced by Cu-deficiency and/or partial cation disorder. Density functional theory calculation indicates valence band was composed of hybridization between Cu 3d orbitals and S 3p orbitals.

本文言語	English
論文番号	021801
ジャーナル	Japanese journal of applied physics
巻	54
号	2
DOI	https://doi.org/10.7567/JJAP.54.021801
出版ステータス	Published - 2015 2月 1

ASJC Scopus subject areas

工学一般
物理学および天文学一般

文献へのアクセス

10.7567/JJAP.54.021801

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引用スタイル

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AB - Electrical and thermal transport properties of Cu-deficient kuramite Cu3-xSnS4 (CTS) was examined as a possible earth-abundant thermoelectric material. Crystallographic structure of CTS was characterized by partial disorder between Cu and Sn. In contrast to semiconducting electrical transport of related compounds, such as Cu2ZnSnS4 and Cu3SbS4, metallic conduction with an electrical resistivity of 0.4mΩcm and a carrier concentration of 3 x 1021 cm-3 was observed at 300 K. Lattice thermal conductivity was calculated at ∼2.6Wm-1 K-1, which was probably reduced by Cu-deficiency and/or partial cation disorder. Density functional theory calculation indicates valence band was composed of hybridization between Cu 3d orbitals and S 3p orbitals.

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