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The DFT X α -discrete variation method was used to calculation creation probability of single and pairwise impurities in cubic phase of silicon carbide. It was shown that stoichiometric M→Si substitution is the favorable in systems 3C–SiC:M, where M=Sc,…,Cu. Atoms B, N and O in the C-substitution site and atom B in interstitial site form internal impurities. Atom P is the best atom-compensator...
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