Composition and Structure of (Zr_(0.37)Ti_(0.63))_3AlC_2 MAX Phase Crystals Prepared by Self-Propagating High-Temperature Synthesis

摘要

A (Zr0.37Ti0.63)(3)AlC2 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 (ZrxTi1-x)(3)AlC2 (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.