Investigating the Strain Effect on Thermoelectric Properties

Thermoelectric materials directly convert waste heat to electricity and offer significant potential to contribute to a global sustainable energy solution; however, they have yet to reach the maximized conversion efficiency. In recent decades, various methodologies, including alloying, quantum size effects, nanostructuring, and strain, have been explored to tune material parameters and enhance conversion efficiency. Among these strategies, lattice strain engineering has emerged as a promising approach to enhance thermoelectric efficiency. Motivated by this, we investigate the effect of strain on the electronic structures and thermoelectric transport properties using advanced first-principles calculations.