High-pressure single crystal X-ray diffraction study of thermoelectric ZnSb and β-Zn4Sb3

Abstract

The structures of thermoelectric ZnSb and Zn₄Sb₃ have been studied extensively as a function of temperature but not in detail as a function of pressure. High pressure single crystal X-ray diffraction data allow structure refinements of ZnSb and Zn₄Sb₃ up to 12.8(2) GPa and 10.6(2) GPa, respectively, and in contrast to previous reports without any signs of phase transitions. At high pressure a redistribution of Zn in Zn₄Sb₃ is present, which is distinctly different from the thermal response of the structure. Fitting of an equation of state resulted in bulk moduli of 45(2) and 48(1) GPa for ZnSb and Zn₄Sb₃, respectively.