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The structural, phonon, and thermodynamic properties of the ternary carbides Ti2AlC, Ti3AlC, and Ti3AlC2 in the Ti–Al–C system are investigated by using first‐principles calculations in this paper. Phonon dispersion curves and partial density of states have been investigated and revealed the different Ti–C bond characteristics between Ti3AlC and the two other compounds. The Gibbs energy, entropy,...
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