Feasible Routes to Boost Thermoelectricity of p- and n-type Full-Heusler Compounds

Abstract

Full-Heusler alloys based on Fe2VAl turn out to bear large potentials for being used in the 100°C temperature range for power generation, cooling, or wireless sensing. Superior power factors (pf) and excellent mechanical properties, the easy synthesis and the non-poisonous and reasonably priced constituting elements, as well as their respective abundance are essential assets in this respect. The present talk aims to focus on various mechanisms which have been employed in order to enhance the thermoelectric performance of such systems. We demonstrate that by modifications of the charge carrier effective mass and the width of the gap in the electronic density of states that pf around 100°C can become 3 times as large, as best performing state-of-the-art materials. A novel mechanism based on charge carrier localization is proposed, boosting the thermoelectric performance and off-stoichiometric sample preparation is employed as well. Our DFT-based calculations allow to perfectly guide experimental studies. Keywords: Fe2VAl,