First-principles calculations of magnetic edge states in zigzag CrI3 nanoribbons

Abstract

Abstract CrI3 monolayer has recently drawn much attention due to its two-dimensional long range ferromagnetic order. We find that CrI3 nanoribbons, which are strips of CrI3 monolayer, can be used as building blocks of nanodevices. In this paper, we studied the atomic and electronic structures of CrI3 zigzag nanoribbons by using first-principles calculations. CrI3 zigzag nanoribbons are also ferromagnet. Interestingly, edge states exist in the system and play an important role in their electronic structures. They dominate the band structures around Fermi level and can be tuned by edge atomic structures. The intrinsic ferromagnetism and rich electronic structures enable CrI3 zigzag nanoribbons a group of promising candidate materials for spintronics.