Formation of the MAX-phase oxycarbide Ti2AlC1-xOx studied via electron energy-loss spectroscopy and first-principles calculations

• Oxygen incorporation in the Ti2AlC MAX phase and TiC was investigated in the electron microscope using spatially resolved fine-structure electron energy-loss spectroscopy analysis. Corresponding fine structures were calculated within the full-potential-linearized augmented plane-wave framework. In the calculations, oxygen was substituted for aluminum and carbon in Ti2AlC as well as for carbon in TiC, in concentrations of 3.1, 6.2, and 12.5 at %. Comparison of calculated and measured spectra shows that oxygen is incorporated on the carbon site in both TiC and Ti2AlC. These findings reveal the existence of MAX phase oxycarbide MA(O,C) alloys and O as a third X element in addition to C and N.

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