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Thermoelectric effects enable the direct conversion between thermal andelectrical energy and provide an alternative route for power generation andrefrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~1) among other members in the family of type-I inorganic clathrates.Enhancement of the thermoelectric properties have been observed in multilayeredsuperlattices, quantum wires and in nanostructured materials, either due to theincrease in power-factor (S^{2}\sigma) or due to the reduction of latticethermal conductivity (\kappa). Here, we investigate the thermoelectricproperties of two-dimensional slabs with varying thickness of Ba8Ga16Ge30 usingsemi-classical Boltzmann transport theory with constant scatteringapproximation. We observe that, there exists a delicate balance between theelectrical conductivity and the electronic part of the thermal conductivity inreduced dimensions and the insights from these results can directly be used tocontrol particle size in nanostructuring experiments. The calculated propertiesare consistent with the recent, first measurements on bulk nanostructuredsamples.

Thermoelectric properties of two-dimensional slabs of Ba8Ga16Ge30 from first principles