Volume 113, Number 1, January 2016
|Number of page(s)||6|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||26 January 2016|
Elastic properties of type-I clathrate K8Zn4Sn42 determined by inelastic X-ray scattering
1 Advanced Photon Source, Argonne National Laboratory - Argonne, IL, USA
2 Materials Science Division, Argonne National Laboratory - Argonne, IL, USA
3 Materials Science and Technology Division, Oak Ridge National Laboratory - Oak Ridge, TN, USA
4 Department of Chemistry, Technische Universität München - Garching, Germany
Received: 15 October 2015
Accepted: 4 January 2016
We measured the phonon dispersion at ambient conditions in single-crystal type-I clathrate K8Zn4Sn42, a material with promising thermoelectric properties that has only recently been synthesized, using the high-energy resolution inelastic X-ray scattering (IXS) technique. From the sound velocities along high-symmetry directions, we extracted the elastic constants (C11, C12, C44 = 63.2, 19.1, 21.9 GPa, respectively). Experimental results agree with the predictions from first-principles calculations on the hypothetical, “guest-free”, type-I clathrate Sn46. The size of the crystal investigated was several orders of magnitude smaller than what is required for neutron and ultrasonic measurements. Due to this essential property, together with the high-energy resolution, high-momentum-transfer resolution, and the access to the strongest Bragg reflections, IXS is the technique of choice for measuring the full elastic constant tensor for microcrystals.
PACS: 63.20.-e – Phonons in crystal lattices / 63.20.D- – Phonon states and bands, normal modes, and phonon dispersion / 63.20.dk – First-principles theory
© EPLA, 2016
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