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Citations since 2017
4 Research Items
Transition metal trihalides (MX3) are one of the two-dimensional (2D) materials families that have garnered a lot of attention, especially after the first experimental realization of an intrinsic ferromagnetic CrI3 monolayer. The vanadium trichloride VCl3 monolayer, which is a member of this family, has been proven to be a stable Dirac half-metal w...
Two-dimensional transition metal carbides and nitrides, known as MXenes, have recently attracted particular attention because of their different properties and promising applications. Herein, we report a computational study of the structural, mechanical, and electronic properties of MXene, M4C3 (M = Sc, Ti, Zr, Mo, Hf, and W) monolayers through den...
Two-dimensional (2D) materials with intrinsic magnetism have sparked a lot of attention due to their potential applications in spintronics. Recently, monolayer molybdenum triiodide (MoI3), which is a member of the transition metal trihalides (MX3) family, has been predicted to be a stable bipolar ferromagnetic semiconductor (BFMS) with intrinsic ma...
Based on density-functional calculations with Hubbard U correction for onsite Coulomb interactions, the structural, electronic, and magnetic properties of V, Mn, and Co-doped FeTe2 monolayers were investigated. Doping is more preferred in Fe-rich conditions than in Te-rich conditions, while Mn inclusion is the most thermodynamically stable in any e...