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Two-dimensional (2D) layered magnetic materials are generating a great amount of interest for the next generation of electronic devices thanks to their remarkable properties associated to spin dynamics. The recently discovered layered VI$_3$ ferromagnetic phase belongs to this family, although a full understanding of its properties is limited by an ill-defined crystallographic structure. This is not any longer true. Here, we investigate the VI$_3$ crystal structure upon cooling using both synchrotron X-ray and neutron powder diffraction and provide structural models for the two structural transitions occurring at 76 K and 32 K. Moreover, we confirm by magnetic measurements that VI$_3$ becomes ferromagnetic at 50 K and discuss the difficulty of solving its full magnetic structure by neutrons. We equally determined the magnetic properties of our recently reported LiVI$_3$ phase, which is alike the well-known CrI$_3$ ferromagnetic phase in terms of electronic and crystallographic structures and found to our surprise an antiferromagnetic behavior with a Neel temperature of 12 K. Such a finding provides extra clues for a better understanding of magnetism in these low dimension compounds. Finally, the easiness of preparing novel Li-based 2D magnetic materials by chemical/electrochemical means opens wide the opportunity to design materials with exotic properties.
Using a combination of density functional theory (DFT) and spin-wave theory methods, we investigate the magnetic interactions and spin excitations in semiconducting VI$_3$. Exchange parameters of monolayer, bilayer, and bulk forms are evaluated by ma
Ferromagnetic van der Waals (vdW) insulators are of great scientific interest for their promising applications in spintronics. It has been indicated that in the two materials within this class, CrI$_3$ and VI$_3$, the magnetic ground state, the band
Several Ising-type magnetic van der Waals (vdW) materials exhibit stable magnetic ground states. Despite these clear experimental demonstrations, a complete theoretical and microscopic understanding of their magnetic anisotropy is still lacking. In p
Combining robust magnetism, strong spin-orbit coupling and unique thickness-dependent properties of van der Waals crystals could enable new spintronics applications. Here, using density functional theory, we propose the (MnSb$_2$Te$_4$)$cdot$(Sb$_2$T
Using density functional theory (DFT) methods, we have calculated X-ray absorption spectroscopy (XAS) and X-ray circular dichroism (XMCD) spectra in bulk and thin films of Fe$_3$GeTe$_2$, CrI$_3$, and CrGeTe$_3$. DFT+$U$ methods are employed for bett