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Two dimensional magnetic materials, with tunable electronic properties could lead to new spintronic, magnetic and magneto-optic applications. Here, we explore intrinsic magnetic ordering in two dimensional monolayers of transition metal tri-halides (MX$_3$, M = V, Cr, Mn, Fe and Ni, and X = F, Cl, Br and I), using density functional theory. We find that other than FeX$_3$ family which has an anti-ferromagnetic ground state, rest of the trihalides are ferromagnetic. Amongst these the VX$_3$ and NiX$_3$ family are found to have the highest magnetic transition temperature, beyond the room temperature. In terms of electronic properties, the tri-halides of Mn and Ni are either half metals or Dirac half metals, while the tri-halides of V, Fe and Cr are insulators. Among all the trihalides studied in this paper, we find the existence of very clean spin polarized Dirac half metallic state in MnF$_3$, MnCl$_3$, MnBr$_3$, NiF$_3$ and NiCl$_3$. These spin polarized Dirac half metals will be immensely useful for spin-current generation and other spintronic applications.
The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity is reported
Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals. Interest in suc
Two-dimensional (2D) intrinsic ferromagnetic semiconductors are expected to stand out in the spintronic field. Recently, the monolayer VI$_{3}$ has been experimentally synthesized but the weak ferromagnetism and low Curie temperature ($T_C$) limit it
Grain boundaries (GBs) are structural imperfections that typically degrade the performance of materials. Here we show that dislocations and GBs in two-dimensional (2D) metal dichalcogenides MX2 (M = Mo, W; X = S, Se) can actually improve the material
The optical properties of atomically thin transition metal dichalcogenide (TMDC) semiconductors are shaped by the emergence of correlated many-body complexes due to strong Coulomb interaction. Exceptional electron-hole exchange predestines TMDCs to s