%A Lun Xiong(熊伦), Qiang Li(李强), Cheng-Fu Yang(杨成福), Qing-Shuang Xie(谢清爽), Jun-Ran Zhang(张俊然)
%T A high-pressure study of Cr3C2 by XRD and DFT
%0 Journal Article
%D 2020
%J Chin. Phys. B
%R 10.1088/1674-1056/ab8c3d
%P 86401-086401
%V 29
%N 8
%U {https://cpb.iphy.ac.cn/CN/abstract/article_122674.shtml}
%8 2020-08-05
%X 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.