Abstract
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.
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