Role of Nanolaminated Crystal Structure on the Radiation Damage Tolerance of Ti₃SiC₂: Theoretical Investigation of Native Point Defects

Table 2

Calculated defect formation energies (in eV) of stable interstitials in Ti₃SiC₂.

Blocks	Sites	C	Ti	Si
Ti3C2 unit	I-C
	I-Ti1	4.8
	I-CTi1	3.9
	I-CTi2	3.6		7.0
SiTi2 unit	I-a-Ti2		8.2
	I-c-Ti2	2.8
	I-a-SiTi2	3.1	5.3
	I-b-SiTi2		5.0
	I-c-SiTi2		3.6
	I-b-Si	0.9	5.1	4.2
	I-c-Si	1.8	4.1	2.1