Composition and Structure of (Zr0.37Ti0.63)3AlC2 MAX Phase Crystals Prepared by Self-Propagating High-Temperature Synthesis

Resumo

A (Zr_0.37Ti_0.63)₃AlC₂ MAX phase has been prepared by self-propagating high-temperature synthesis. The composition of its crystals has been determined by comparing X-ray structure analysis results with structural data for (Zr_xTi_1–x)₃AlC₂ (0 < x < 1) crystals prepared by other methods. Comparison of X-ray structure analysis data with density functional theory calculation results indicates that the arrangement of the Zr and Ti atoms in the metal–carbon layer is disordered.