Thermoelectric performance boost by chemical order in epitaxial L21 (100) and (110) oriented undoped Fe2VAl thin films: an experimental and theoretical study [Dataset]

This Dataset refers to the following study which demonstrates the direct correlation between the presence of the L21 ordered phase and the significant enhancement in the thermoelectric performance of Fe2VAl thin films deposited on MgO and Al2O3 substrates at temperatures varying between room temperature and 950 °C. The researchers employ both experimental techniques and computational modeling to analyze the influence of crystallographic orientation and deposition temperature on the thermoelectric properties, including the Seebeck coefficient, electrical conductivity, and thermal conductivity. Their findings indicate that the presence of the L21 phase significantly enhances the power factor (PF) and figure of merit (zT), surpassing previously reported values for both bulk and thin film forms of Fe2VAl, achieving a PF of 480 μW m−1 K−2 and a zT of 0.025.