Synthesis and ab initio calculations of nanolaminated (Cr,Mn)2AlC compounds

We present an ab initio theoretical analysis of the temperature-dependent stability of inherently nanolaminated (Cr1-xMnx)(2)AlC. The results indicate energetic stability over the composition range x = 0.0 to 0.5 for temperatures >= 600 K. Corresponding thin film compounds were grown by magnetron sputtering from four elemental targets. X-ray diffraction in combination with analytical transmission electron microscopy, including electron energy-loss spectroscopy and energy dispersive x-ray spectroscopy analysis, revealed that the films were epitaxial (0001)-oriented single-crystals with x up to 0.16. DOI: 10.1103/PhysRevB.87.094113