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

Yosuke Goto, Yuki Sakai, Yoichi Kamihara, Masanori Matoba

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number021801
JournalJapanese Journal of Applied Physics
Volume54
Issue number2
DOIs
Publication statusPublished - 2015 Feb 1

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Electron transport properties
Valence bands
Transport properties
Electronic structure
Density functional theory
Carrier concentration
Thermal conductivity
transport properties
Positive ions
Earth (planet)
disorders
electronic structure
orbitals
thermoelectric materials
thermal conductivity
density functional theory
valence
cations
conduction
electrical resistivity

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

Cite this

Electronic structure and transport properties of Cu-deficient kuramite Cu3-xSnS4. / Goto, Yosuke; Sakai, Yuki; Kamihara, Yoichi; Matoba, Masanori.

In: Japanese Journal of Applied Physics, Vol. 54, No. 2, 021801, 01.02.2015.

Research output: Contribution to journalArticle

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