A Combined First Principles Study of the Structural, Magnetic, and Phonon Properties of Monolayer CrI${}_3$

Daniel Staros, Guoxiang Hu, Juha Tiihonen +6

The first magnetic 2D material discovered, monolayer (ML) CrI${}_3$, is particularly fascinating due to its ground state ferromagnetism. Yet, because monolayer materials are difficul…