Boosting Thermoelectric Performance in Epitaxial GeTe Film/Si by Domain Engineering and Point Defect Control.

This study demonstrates a simultaneous realization of ultralow thermal conductivity and high thermoelectric power factor in epitaxial GeTe thin films/Si substrates by a combination of the interface introduction by domain engineering and the suppression of Ge vacancy generation by point defect control. We formed epitaxial Te-poor GeTe thin films having low-angle grain boundaries with a misorientation angle close to 0° or twin interfaces with a misorientation angle close to 180°. The control of interfaces and point defects gave rise to ultralow lattice thermal conductivity of ∼0.7 ± 0.2 W m-1 K-1. This value was the same in the order of magnitude as the theoretical minimum lattice thermal conductivity of ∼0.5 W m-1 K-1 calculated by the Cahill-Pohl model. At the same time, the GeTe thin films exhibited a high thermoelectric power factor because of the suppression of Ge vacancy generation and a small contribution of grain boundary carrier scattering. The outstanding combined technique of domain engineering and point defect control can be a great approach for developing high-performance thermoelectric films.

Phonon transport in the nano-system of Si and SiGe films with Ge nanodots and approach to ultralow thermal conductivity.

Phonon transport in the nano-system has been studied using well-designed nanostructured materials to observe and control the interesting phonon behaviors like ballistic phonon transport. Recently, we observed drastic thermal conductivity reduction in the films containing well-controlled nanodots. Here, we investigate whether this comes from the interference effect in ballistic phonon transport by comparing the thermal properties of the Si or Si0.75Ge0.25 films containing Ge nanodots. The experimentally-obtained thermal resistance of the nanodot layer shows peculiar nanodot size dependence in the Si films and a constant value in the SiGe films. From the phonon simulation results, interestingly, it is clearly found that in the nanostructured Si film, phonons travel in a non-diffusive way (ballistic phonon transport). On the other hand, in the nanostructured SiGe film, although simple diffusive phonon transport occurs, extremely-low thermal conductivity (∼0.81 W m-1 K-1) close to that of amorphous Si0.7Ge0.3 (∼0.7 W m-1 K-1) is achieved due to the combination of the alloy phonon scattering and Ge nanodot scattering.