K. Pryga

On the dual character of Zn impurity in SnTe: Tuning thermoelectric and topological properties

We present a first-principles study of the electronic structure and thermoelectric properties of Zn-doped SnTe using the Korringa-Kohn-Rostoker method within the coherent potential approximation, complemented by pseudopotential calculations. SnTe is a lead-free analogue of PbTe and a candidate thermoelectric material i...