Abstract:
More recently, the hexagonal boron nitride has got attention due to its wide application
profile as dielectric in electronic tunnel barrier and spintronics. In study, the electronic
structure and magnetic property of Manganese (Mn) doped monolayer (ML) boron nitride
was studied using spin polarized density functional theory (DFT). The calculated lattice
parameters and energy band gap are reasonably agreed with latest experimental observations.
The substitution of Mn atom on ML BN turns the nonmagnetic wide band gap semiconductor
(insulator) behavior of the parent pure compound to half metallic and magnetic. In addition
to this, we have found that the magnetic interaction between two dopants (Mn atoms) in ML
BN is ferromagnetic (FM) .The calculated ferromagnetic transition temperatures (Tc) value
for impurity concentration of 22.22% is found to be 93 K which is less than the latest result
160K reported from Monte Carlo Simulations. Hence our results are not step forward to
achieve room temperature Tc (300K) in Mn doped ML BN. Based on our result we suggest
that Mn–doped ML BN are promising candidates for 2D dilute magnetic semiconductors for
spintronics applications.
