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Materials 2015, 8(3), 1043-1058; doi:10.3390/ma8031043

Structure and Transport Properties of the BiCuSeO-BiCuSO Solid Solution

SP2M—ICMMO, Université Paris-Sud, Orsay F-91405, France
School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China
Author to whom correspondence should be addressed.
Academic Editor: Kunihito Koumoto
Received: 20 January 2015 / Revised: 24 February 2015 / Accepted: 5 March 2015 / Published: 12 March 2015
(This article belongs to the Special Issue Low-Dimensional Anisotropic Thermoelectrics)
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In this paper, we report on the crystal structure and the electrical and thermal transport properties of the BiCuSe1−xSxO series. From the evolution of the structural parameters with the substitution rate, we can confidently conclude that a complete solid solution exists between the BiCuSeO and BiCuSO end members, without any miscibility gap. However, the decrease of the stability of the materials when increasing the sulfur fraction, with a simultaneous volatilization, makes it difficult to obtain S-rich samples in a single phase. The band gap of the materials linearly increases between 0.8 eV for BiCuSeO and 1.1 eV in BiCuSO, and the covalent character of the Cu-Ch (Ch = chalcogen element, namely S or Se here) bond slightly decreases when increasing the sulfur fraction. The thermal conductivity of the end members is nearly the same, but a significant decrease is observed for the samples belonging to the solid solution, which can be explained by point defect scattering due to atomic mass and radii fluctuations between Se and S. When increasing the sulfur fraction, the electrical resistivity of the samples strongly increases, which could be linked to an evolution of the energy of formation of copper vacancies, which act as acceptor dopants in these materials. View Full-Text
Keywords: thermoelectric materials; layered chalcogenides; crystal structure; electronic band structure; thermal conductivity; electrical resistivity thermoelectric materials; layered chalcogenides; crystal structure; electronic band structure; thermal conductivity; electrical resistivity

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Berardan, D.; Li, J.; Amzallag, E.; Mitra, S.; Sui, J.; Cai, W.; Dragoe, N. Structure and Transport Properties of the BiCuSeO-BiCuSO Solid Solution. Materials 2015, 8, 1043-1058.

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