Spin Direction-Controlled Electronic Band Structure in Two-Dimensional Ferromagnetic CrI3

Nano Lett. 2018 Jun 13;18(6):3844-3849. doi: 10.1021/acs.nanolett.8b01125. Epub 2018 May 23.

Abstract

Manipulating physical properties using the spin degree of freedom constitutes a major part of modern condensed matter physics and is a key aspect for spintronics devices. Using the newly discovered two-dimensional van der Waals ferromagnetic CrI3 as a prototype material, we theoretically demonstrated a giant magneto band-structure (GMB) effect whereby a change of magnetization direction significantly modifies the electronic band structure. Our density functional theory calculations and model analysis reveal that rotating the magnetic moment of CrI3 from out-of-plane to in-plane causes a direct-to-indirect bandgap transition, inducing a magnetic field controlled photoluminescence. Moreover, our results show a significant change of Fermi surface with different magnetization directions, giving rise to giant anisotropic magnetoresistance. Additionally, the spin reorientation is found to modify the topological states. Given that a variety of properties are determined by band structures, our predicted GMB effect in CrI3 opens a new paradigm for spintronics applications.

Keywords: CrI3; Giant magneto band structure; ferromagnetism; two-dimensional materials.

Publication types

  • Research Support, Non-U.S. Gov't