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Mechanical Properties of Intermetallic Clathrates

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The Physics and Chemistry of Inorganic Clathrates

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 199))

Abstract

The present work provides a comprehensive compilation and discussion covering hardness, experimentally determined elastic properties, thermal expansion, and Debye and Einstein temperatures for intermetallic clathrates. Comparing hardness values and elastic properties a major influence of the framework atoms is observed. Hardness and elastic moduli change linearly with the Si/Ge-ratio. Also a linear temperature dependence of the elastic properties is observed. In the case that vacancies are present in the clathrate framework, the hardness of different compounds decreases almost linearly with an increasing vacancy-content. As Debye and Einstein temperatures are of significance for the vibrational spectra and performance of thermoelectric materials, corresponding values extracted from various measurement techniques such as thermal expansion, sound velocity, specific heat, electrical resistivity or X-ray absorption and diffraction measurements are evaluated. The Debye temperatures correlate with the melting temperatures of the intermetallic clathrates, and the Einstein temperatures for similar guest atoms show a linear dependence on the cage size. Wherever available, experimental data are compared with those from DFT model simulations. In general the experimentally derived values match those theoretically calculated.

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Acknowledgments

The authors are thankful to N. Nasir, I. Zeiringer, and X. Yan for the generous supply of samples for hardness and RUS measurements.

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  1. Institute of Physical Chemistry, University of Vienna, Währingerstrasse 42, 1090, Wien, Austria

    M. Falmbigl & P. Rogl

  2. Faculty of Physics, University of Vienna, Boltzmanngasse 5, 1090, Wien, Austria

    S. Puchegger

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  1. Dept. of Physics, ISA 2019, University of South Florida, Tampa, Florida, USA

    George S. Nolas

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Falmbigl, M., Puchegger, S., Rogl, P. (2014). Mechanical Properties of Intermetallic Clathrates. In: Nolas, G. (eds) The Physics and Chemistry of Inorganic Clathrates. Springer Series in Materials Science, vol 199. Springer, Dordrecht. https://doi.org/10.1007/978-94-017-9127-4_10

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