Influence of external electric field on electronic and magnetic properties of doped boron nitride monolayer: Theoretical study

We performed density functional calculations to examine the electronic and magnetic properties of doped boron nitride monolayer subjected to a static electric field. We noticed that doping boron nitride monolayer with titanium undergoes an insulator-metal phase transition under different field strengths. Moreover, doping boron nitride monolayer with titanium introduced new mini bands that are shifted unevenly according to the applied field, thus facilitating band gap tuning. This reflects wide range of electronic properties of boron nitride monolayer that can be achieved via the combined effect of titanium doping and applying an external electric field. Furthermore, the direction of the applied field has no significant effect when boron is being substituted, whereas substituting nitrogen atom by titanium atom is significantly affected by the direction of the applied filed due to symmetry breaking. Finally, applying external electric filed has a direct impact on the magnetic properties of the doped system.