“…In the multilayer samples, all these SiC, TiC, and Ti 3 SiC 2 crystals coexist, and in this case, the chemical potentials of Si, C, and Ti were determined from the following relations: μ SiC = μ Si + μ C , μ TiC = μ Ti + μ C , and μ Ti 3 SiC 2 = 3μ Ti + μ Si + 2μ C . We have taken μ Si = − 5.68 eV, μ Ti = − 9.36 eV, and μ C = − 9.39 eV, following ( 11 , 48 ). Last, the diffusion pathways and migration energy barriers for defects were determined by the climbing-image nudged elastic band (CI-NEB) method ( 49 ) (typically with five images).…”