Surface Stability and Exfoliability of Non-van der Waals Magnetic Chromium Tellurides

Exfoliation of two-dimensional (2D) magnetic materials from non-van der Waals (non-vdW) materials has attracted increasing attention because it provides a great platform for the construction of 2D magnetic materials. For non-vdW magnetic chromium tellurides with high Curie temperatures, their few-layer samples show promising applications in the field of spintronics. However, there is still no consensus on whether the surface structures of few-layer chromium tellurides should be terminated by Cr or Te atoms. By calculating the surface and exfoliation energy, we find that which structure is more stable depends greatly on the value of the chemical potential of Te atoms, and the few-layer sample with a Cr-terminated surface is easier to exfoliate than that with both Te-terminated surfaces. Finally, we propose that different exfoliated structures can be identified by using the atomic number ratio of Cr to Te and the average magnetic moment of Cr atoms in few-layer samples.