The dependence of elastic properties of Cr2AC(A = Al, Ge) compounds on pressure by First-principle calculation
MAX phases captured attention ever since they were synthesized. They are suited for different applications, especially in high-temperature and extreme environments. So knowledge of mechanical properties is essential for our applications of MAX phases in different situations. Cr2AC (A = Al, Ge) compounds belong to M2AX phases. But, few of their physical properties have been studied. This work demonstrated the compression behavior of Cr2AC (A = Al, Ge) by first-principles method. The elastic constants were calculated in the range of 0–50 GPa, it is shown that they satisfy the requirement of mechanical stability. The values of bulk moduli, shear moduli, Young’s moduli, Possion’s ratio and Lame’s constant were calculated. We also studied brittleness/ductility of Cr2AC(A = Al, Ge). For the more, we studied the dependence of a/a0, c/c0 and bulk moduli on the pressure below 50 GPa. In the end, we calculated the Mulliken bond overlap and theoretical hardness. We also discussed the bonding and antibonding.