A high-pressure study of Cr₃C₂ by XRD and DFT

The equation of state (EOS) of Cr₃C₂ at high pressure is studied by the synchrotron radiation x-ray diffraction (XRD) in a diamond anvil cell (DAC) at ambient temperature, and density functional theory (DFT). The XRD analysis shows that the orthorhombic structure is maintained to a maximum pressure of 44.5 GPa. The XRD data show that the bulk modulus is K₀=292 (18) GPa with K₀'=3.25(0.85). In addition, the high-pressure compression behavior of Cr₃C₂ is studied by first principles calculations. The obtained bulk modulus of Cr₃C₂ is 323 (1) GPa.