Abstract
Exploring the properties of nitride materials makes them attractive for advanced energy conversion. This project investigates phonon and electron interactions in metallic (NbN, HfN), semimetallic/semiconductor (ScN, CrN), and dielectric (AlN) nitrides, exploring doping and solid solutions. Ab initio calculations will elucidate phonon dispersion, electron-phonon coupling, and thermoelectric/phonoelectric properties. Comparisons with experimental films will validate the results. The project aims to optimize material composition for enhanced ZT values and explore combined thermoelectric-phonoelectric conversion, focusing on optical/acoustic phonon to electron manipulations and micro/nanoscale energy harvesting.