Substantiation of Epitaxial Growth of Diamond Crystals on the Surface of Carbide Fe3AlC0.66 Phase Nanoparticles

Table 2 Optimal parameters of elemental cells and values of creation enthalpies

Compound	a, nm	Enthalpy of Creation, eV/atom	Enthalpy of Creation for a = 0, 375 nm
Fe₃AlC_0.66	~0, 3725	–0.0348	–0.0328
Fe₃AlC_0.5	~0, 372	–0.0335	–0.033
Fe₃AlC	0, 375	–0.0318	–0.0318
Fe_3.5Al_0.5C_0.5	0, 372	–0.024	–0.0244
Fe_3.5Al_0.5C (I)	0, 373	–0.028	–0.0286
Fe_3.5Al_0.5C (II)	0, 3735	–0.028	–0.0275