Development of the novel materials where charge and heat transport are partially de-coupled is a key factor for the next generation of thermoelectric materials. In this report we present novel clathrate materials with general formula Ba8M16P30 (M = Cu, Au) as a base for new thermoelectric materials. Ba8M16P30 crystallize in the orthorhombic superstructure of clathrate-I avoiding mixed occupancies of crystallographic positions by transition metal and phosphorus atoms. Control over charge carrier concentration can be achieved by the aliovalent substitution in the clathrate framework. Such substitution may be accompanied with the disappearance of the orthorhombic superstructure. The synthesis, crystal and electronic structure, as well as the thermoelectric properties of Ba8M16P30-materials will be discussed.

Transition metal-phosphorus clathrates for thermoelectric energy conversion

247th National Meeting (2014)

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