Chinese Physics B, Volume. 29, Issue 8, (2020)
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.
Get Citation
Copy Citation Text
Lun Xiong, Qiang Li, Cheng-Fu Yang, Qing-Shuang Xie, Jun-Ran Zhang. A high-pressure study of Cr3C2 by XRD and DFT[J]. Chinese Physics B, 2020, 29(8):
Received: Feb. 14, 2020
Accepted: --
Published Online: Apr. 29, 2021
The Author Email: Xiong Lun (zhangjunran@ihep.ac.cn)