Fine-Tuning Magnetism in CrI$_3$ Monolayers and Bilayers: A DFT+U
Approach
Fine-Tuning Magnetism in CrI$_3$ Monolayers and Bilayers: A DFT+U
Approach
The magnetic properties of CrI$_3$ monolayers, which were recently measured, have been investigated considering electronic repulsion and localization effects in Cr 3d orbitals. In this study, we propose a DFT approach using Hubbard U corrections to improve accuracy. We compare the valence density-of-states using the HSE06 hybrid functional and the …