Lattice defects and thermoelectric properties: the case of p-type CuInTe2 chalcopyrite on introduction of zinc

Jiangfeng Yang; Shaoping Chen; Zhengliang Du; Xianglian Liu; Jiaolin Cui

doi:10.1039/C4DT01909A

Lattice defects and thermoelectric properties: the case of p-type CuInTe₂ chalcopyrite on introduction of zinc

Jiangfeng Yang,^a^b Shaoping Chen,*^a Zhengliang Du,^b Xianglian Liu^b and Jiaolin Cui*^b

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* Corresponding authors

^a Materials Science and Engineering College, Taiyuan University of Technology, Taiyuan 030024, China

^b Institute of Materials Engineering, School of Materials, Ningbo University of Technology, Ningbo 315016, China
E-mail: cuijiaolin@163.com

Abstract

I–III–VI₂ chalcopyrites have unique inherent crystal structure defects, and hence are potential candidates for thermoelectric materials. Here, we identified mixed polyanionic/polycationic site defects (Zn_In⁻, V_Cu⁻, In_Cu²⁺ and/or Zn_Cu⁺) upon Zn substitution for either Cu or In or both in CuInTe₂, with the Zn_In⁻ species originating from the preference of Zn for the cation 4b site. Because of the mutual reactions among these charged defects, Zn substitution in CuInTe₂ alters the basic conducting mechanism, and simultaneously changes the lattice structure. The alteration of the lattice structure can be embodied in an increased anion position displacement (u) or a reduced bond length difference (Δd) between d_(Cu–Te)4a and d_(In–Te)4b with increasing Zn content. Because of this, the lattice distortion is diminished and the lattice thermal conductivity (κ_L) is enhanced. The material with simultaneous Zn substitution for both Cu and In had a low κ_L, thereby we attained the highest ZT value of 0.69 at 737 K, which is 1.65 times that of Zn-free CuInTe₂.

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The article was received on 25 Jun 2014, accepted on 29 Jul 2014 and first published on 29 Jul 2014

Article type: Paper

DOI: 10.1039/C4DT01909A

Author version available: Download Author version (PDF)

Citation: Dalton Trans., 2014,43, 15228-15236

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Lattice defects and thermoelectric properties: the case of p-type CuInTe₂ chalcopyrite on introduction of zinc

J. Yang, S. Chen, Z. Du, X. Liu and J. Cui, Dalton Trans., 2014, 43, 15228
DOI: 10.1039/C4DT01909A
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Lattice defects and thermoelectric properties: the case of p-type CuInTe₂ chalcopyrite on introduction of zinc

Abstract

Supplementary files

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Lattice defects and thermoelectric properties: the case of p-type CuInTe₂ chalcopyrite on introduction of zinc

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