Electronic structure in FeSb2, FeAs2 and FeSi

We have automatized the calculation of band structures. Using a rigid band approach and Boltzmann theory it is possible to calculate the Seebeck coefficient and effective mass of a given compound at varying carrier concentrations. One can therefore rapidly screen a material for potential thermoelectric applications. Thereby thousands of compounds have been screened and several potentially interesting functional materials have been suggested. In this contribution the electronic structure of FeSb
₂
will be described