  With the rise of two-dimensional (2D) materials, unique properties that are
completely distinct from bulk counterparts continue to emerge at
low-dimensional scales, presenting numerous opportunities and challenges. It
also provides a new perspective for the study of transition metal system. Here,
based on density functional theory (DFT), the physical properties of 2D
monolayer LiV2S4 have been studied. Remarkable changes have been observed,
i.e., vanadium dimerization, ferromagnetism, charge distribution and
metal-insulator transition (MIT). It is argued that the electronic instability
leads to the V dimerization which further lifts the degeneracy of charge
distribution and stabilizes the charge and spin ordering state.
