Electronic Band Structure of MXene Material (V2C)

MXene materials have received a strong boost of interest due to the prediction behaving as topological dielectric or non conductor which is used in spintronic devices and for future technology device. In this experiment DFT (Density Functional Theory) based Quantum Express code calculate band structure DOS material (i.e. V2C) by setting non-polarized spin polarization framework. From geometric optimization, lattice parameter found be = 2.945 Å, b 8.836 c 28.19 Å. Since its bulk insulating nature, we observed layer conducting i.e. bands overlapping within fermi surface. Similar kind scenario resembles escorted previously predicted results.