Towards a microscopic understanding of the pyroelectric effect

This project aims to create a microscopic understanding of the pyroelectric effect in relation to energy harvesting applications. Pyroelectrics are a class of materials that can be used to generate electricity from fluctuations in temperature.

The pyroelectric effect is a well-known phenomenon: a material subject to a change in temperature exhibits an associated change in polarization. The change in polarization induces a current that can be harvested. This macroscopic phenomenon has a microscopic origin in a material systems geometry and chemistry.

This project intends to use state-of-the-art quantum mechanical methods to build a quantitative model to understand the underlying mechanisms in existing pyroelectrics and to guide the search for new materials with superior performance.Institutional knowledge on the pyroelectric effect has historically been relegated to the niche application of infrared detection.

Recently there has been a surge in interest in using the pyroelectric effect to scavenge waste heat using varying device designs.

With increasing demand for materials with high pyroelectric coefficient, theoretical studies on the fundamental origins of the effects eluded the community. This project aims to address basic questions pertaining to the pyroelectric effect.

With modern computational tools we will construct guidelines of what characterizes a high-performing pyroelectric material, and what classes of materials are potential candidates for next-generate devices.