Computational Design of Two-dimensional Magnetic Materials
Naihua Miao
Beihang University, Beijing 100191, China

EXTENDED ABSTRACT: Atomically thin two-dimensional (2D) ferromagnetic materials with combination of large spin polarization and high Curie temperature are of particular importance and interes nanoscale spintronic devices. However, although plenty of 2D crystals have been studied widely, most of t are lacking of intrinsic polarization or ferromagnetic ordering, which greatly hinder their direct application spintronics. To this end, 2D magnetic materials with desirable magnetic and electronic properties for nanos spintronic devices are highly sought. In this talk, by means of ab initio calculations, molecular dynam and Monte Carlo simulations, we explored the materials genome in 2D magnets and proposed an alterna promising strategy to create 2D intrinsic ferromagnetism from bulk van der Waals antiferromagnets. Severa semiconductors with tunable magnetism and great stability were predicted for potential experimental fabrica Our findings on 2D magnetic crystals shed light on developing 2D semiconducting intrinsic ferromagnets also provide new opportunities for future spintronic applications at atomic thickness.