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N-type Mg

The complex host-guest structure of Type-I inorganic clathrates has been studied fervently within the CMC based on their low thermal conductivity and promising thermoelectric Figure of Merit (zT). We have recently been focused on understanding unusual features in the high temperature diffraction data collected over a number of years on Ba8Ga16Ge30 (BGG), where numerous samples have been prepared in-house using various synthesis methods. This led to a comprehensive thermal stability study of clathrate powders, where PXRD revealed amorphous components in the samples treated at high temperature in air. PDF measurements were performed on data collected from ex situ annealed BGG samples. This ex situ study (to be submitted), reveals that the seemingly subtle change in the clathrate structure and the emergence of a significant amorphous phase observed from PXRD data is likely to be the result of modifications in the cage configuration, but further data analysis is necessary to identify the specific features of the cages that are affected. Although the thermal stability of thermoelectric materials has been highlighted as a critical bottleneck in their commercialization, the aim of this work is to understand how we may stabilize TE materials through a thorough understanding of their high temperature structure reorientations and decomposition mechanisms.