2D Magnetic MXenes (M11–xM2x)3C2 (M1 = V, Cr; M2 = Mn, Cr): The Stability, Ordering, and Magnetic Properties

Since their discovery in 2011, the MXene family of two-dimensional (2D) materials has attracted much interest due to its unique properties, leading to practical applications. Recently, special attention has been paid to magnetic MXenes. However, despite the great diversity of the chemical composition of MXenes, which opens up prospects for obtaining magnetic 2D materials, only a few MXenes with intrinsic magnetism have been synthesized to date. The main reason for this is the phase instability of both MXenes and their parent MAX phases. Here, we use the first-principles calculations and the cluster expansion (CE) method to analyze the thermodynamic stability of second-order MXenes (M1