Crystal chemistry in phase change thermoelectrics

热电材料将热能转化为电能，为回收工业过程中的余热提供了可能性。然而，潜在的晶体化学对热电输运的影响仍然不完全清楚。改善热电输运的新方法侧重于设计能带结构，以实现能带收敛和高能带简并度。就在最近，有研究表明，高的晶体对称性导致了高的能带简并数。这一提议的假设是基于目前的理解，即更多的立方晶格将导致更好的热电输运。相变材料在立方高温结构中表现出良好的热电输运特性，是研究晶体对称性对输运影响的理想材料。使用晶体化学方法可以改变相变，控制结构对称性。这一建议寻求更好地从根本上理解元素取代如何在较低温度下移动或抑制相变并稳定高温晶体结构。我们将探讨由此产生的对热电输运的影响。

Thermoelectric materials convert thermal in electrical energy and provide the possibility to recover waste heat in industrial processes. However, the underlying crystal chemical influences on thermoelectric transport is still not fully understood. Novel approaches for improved thermoelectric transport focus on the engineering of the band structure to achieve band convergence and high band degeneracy. Just recently, it was shown that a high crystal symmetry leads to a high number in the band degeneracy. The hypothesis of this proposal is based on the current understanding that a more cubic lattice will lead to better thermoelectric transport. Phase change materials exhibit good thermoelectric transport in their cubic high temperature structures and are ideal candidates for understanding the effects of crystal symmetry on the transport. Using crystal chemical approaches the phase changes will be altered, and the structural symmetry controlled. This proposal seeks a better fundamental understanding of how elemental substitution can shift or suppress phase changes and stabilize high temperature crystal structures at lower temperatures. The resulting effect on the thermoelectric transport will be explored.