The broad family of ThCr2Si2-type layered materials have been well explored for various applications over recent years, although most representatives with transition metals are metallic in nature. Here we explore a new group of ThCr2Si2-type layered pnictides BaM2X2 (X = pnictogen) with the M-site being jointly occupied by a transition metal and a main group element. These materials retain the ThCr2Si2 structure-type, i.e. tetragonal I4/mmm space group. Adjustment of the composition leads to the complete filling of the conduction band emphasized in semiconducting behavior, unlike most other materials from this family. Compounds reported here have high thermal stability and can be grown in various synthetic routes discussed here. They exhibit ultra-low thermal conductivities and high Seebeck coefficients, making them promising candidates for thermoelectric applications. Here we report the syntheses, structures, and transport properties of these materials.

New family of semiconducting ThCr2Si2-type layered materials with ultralow thermal conductivities

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