Pressure induced structural transitions in CuSbS2 and CuSbSe2 thermoelectric compounds

Abstract We have investigated the structural behavior of CuSbS2 and CuSbSe2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive X-ray diffraction in a diamond anvil cell (DAC). We have also performed high pressure Raman spectroscopy measurements up to 16 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS2 and CuSbSe2, respectively. High pressure Raman experiments complement the transitions observed by high pressure X-ray diffraction (HPXRD). The transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.