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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 FeSb2 will be described.