Single Crystal Growth and Structural Characterization of Theoretically Predicted Nanolaminates M2Al2C3, Where M = Sc and Er

Abstract

Nanolaminated materials including magnetic elements are of special interest for commonly observed nontrivial magnetic characteristics and as potential precursors for 2D materials. Here, we explore the previously unknown layered phase M2Al2C3, where M = Sc and Er. Sc2Al2C3 was synthesized as single crystals of ∼mm2 size, and its structure was determined by single crystal X-ray diffraction and scanning transmission electron microscopy. Evaluation of phase stability and possible vacancy formation based on first-principles calculations confirms the attained phase and suggests full occupancy on both the Al and C sites. Potential realization of the hypothetical phase Y2Al2C3 is also proposed. Furthermore, we also demonstrate that Er2Al2C3 can be synthesized in powder form, providing experimental evidence for stoichiometries based on rare earth elements, which, in turn, suggests possible incorporation of other lanthanides.