MBene (MnB): a new type of 2D metallic ferromagnet with high Curie temperature

Abstract

We extend the 2D MXene family into the boride world, namely, MBenes. High-throughput calculations screen twelve MBenes with excellent stability. Among them, 2D MnB MBene exhibits robust metallic ferromagnetism (∼3.2 μ_B per Mn atom) and high Curie temperature (345 K). After functionalization with the –F and –OH groups, the ferromagnetic ground state of 2D MnB is well preserved. The Curie temperature is increased to 405 and 600 K, respectively, providing a novel and feasible strategy to tailor the T_C of 2D magnetic materials.