First-principles study of structural disorder, site preference, chemical bonding and transport properties of Mg-doped tetrahedrite

Krzysztof Kapera, Andrzej Kolezynski

Tetrahedrite-based (${\text{Cu}}_{12}{\text{Sb}}_4{\text{S}}_{13}$) materials are candidates for good thermoelectric generators due to their intrinsic, very low thermal conductiv…