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- Title
Tuning Crystal Structures and Thermoelectric Properties through Al Doping in ReSi<sub>1.75</sub>.
- Authors
Wang, Fei; Veremchuk, Igor; Lidin, Sven
- Abstract
Binary rhenium silicide, ReSi1.75, and its aluminiumdoped variants have been synthesized. Their crystal structures were characterized by X-ray diffraction, solved and refined through the use of superspace group models. The binary undoped ReSi1.75 is a commensurate (supercell) structure of the previously well-known MoSi2-type structure. Al doping renders an incommensurate structure that was solved and refined, and reported for the first time. The thermoelectric properties of these compounds were also measured, including their electrical resistivities, thermal conductivities, and Seebeck coefficients. Compared with the commensurate structure of binary ReSi1.75, the Al-doped incommensurate phase exhibits lower lattice thermal conductivity, lower electrical resistivity, a higher Seebeck coefficient, and ultimately a much higher figure of merit (ZT). The cause of the structural incommensuration by Al doping was studied through the use of first-principle calculations. The relationship between the incommensurability and the improved thermoelectric properties is also discussed.
- Subjects
RHENIUM compounds synthesis; ALUMINUM; MOLECULAR structure of rhenium compounds; DOPED semiconductors; SEEBECK coefficient; THERMOELECTRIC effects; ELECTRICAL resistivity
- Publication
European Journal of Inorganic Chemistry, 2017, Vol 2017, Issue 1, p47
- ISSN
1434-1948
- Publication type
Article
- DOI
10.1002/ejic.201600792