Pressure Prediction of Electronic, Anisotropic Elastic, Optical, and Thermal Properties of Quaternary (M_2/3Ti_1/3)₃AlC₂ (M = Cr, Mo, and Ti)

Table 2

Theoretically calculated elastic properties including elastic constants ( in GPa), bulk modulus ( in GPa), shear modulus ( in GPa), Young’s modulus ( in GPa), and Poisson’s ratio () for M₂TiAlC₂ (M = Cr, Mo, and Ti).

Spaces	Pressure
Cr2TiAlC2	0 GPa	376.3	98.2	119	352.6	146.4	139	197.5	137.1	1.44	315	0.234
	100 GPa	850.8	432.6	440.1	814.3	362.5	209.1	571.2	256.7	2.23	538.2	0.343
Mo2TiAlC2	0 GPa	381.7	141.6	131.4	372.6	149.7	120	216	131.9	1.64	307.7	0.263
	100 GPa	843.6	479	467.6	788.8	352.9	182.3	588.9	235.4	2.5	482.4	0.364
Ti3AlC2	0 GPa	353.3	74.1	67.6	297.6	134.1	139.6	157.5	134.3	1.17	310.5	0.173
	0 GPa [47]	368	81	76	313	130	143	168	135	1.24	320	0.18
	0 GPa [12]							165	124	1.35	297.5	0.2
	100 GPa	805.5	327.9	371.7	727.6	292.6	238.8	497.8	245.6	2.03	551.1	0.316