Enhanced thermoelectric performance in Fe2V0.8W0.2Al thin films: synergistic effects of chemical ordering and tungsten substitution [DATASET]

This is the Dataset from the study in which we systematically investigate the combined effect of chemical ordering and W substitution on the thermoelectric properties of Fe2V0.8W0.2Al thin films. Through controlled sputter deposition on MgO (100) and Al2O3 (11[2 with combining macron]0) substrates at temperatures ranging from 350 °C to 950 °C, we achieve varying degrees of crystalline and chemical order. Films deposited between 750 °C and 950 °C adopt the highly ordered L21 phase, exhibiting a dramatic enhancement in Seebeck coefficient and substantial reduction in thermal conductivity compared to isostructural Fe2VAl thin films without tungsten substitution. These synergistic improvements, attributed to electronic structure modifications and enhanced phonon scattering mechanisms, yield exceptional thermoelectric performance with maximum power factors of 730 ± 70 µW m−1 K−2 and figure of merit zT = 0.12 ± 0.03 at room temperature, representing a more than four-fold enhancement over undoped Fe2VAl and demonstrating the potential for sustainable energy harvesting applications