This award supports theoretical and computational research on thermoelectric materials. In these materials, the flow of heat and electric charge are linked in a way that makes it possible to convert electrical current into heat flow for cooling purposes, or to convert heat flow into electrical current for power generation. Thermoelectric devices are already used in specialized applications, but improved materials that allow more efficient device operation are needed. This project will use theory and computation to search for novel materials with improved thermoelectric properties for cooling applications. The research will address the roles of both electrons and lattice vibrations in the transport of heat and electric charge in thermoelectric materials. Materials with strong electron-electron interactions will be investigated, both in bulk form, as well as in artificially engineered nanostructures. The goal is to develop efficient and accurate computational methods that can be used to identify promising classes of materials that optimize competing factors relevant for cooling and to elucidate ways in which nanostructures can be used to modify both charge and heat flow to improve thermoelectric performance.
This project supports the training of graduate students, both in the academic research environment and in the industrial R&D context. The project also provides research experiences for undergraduate students, and supports the continued development and assessment of a course in quantum mechanics and materials science for non-science students. A related outreach program will introduce the wonders of the quantum world to elementary-school students.
