Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO$_3$

Abstract

We employ density functional theory using the modified Becke-Johnson (mBJ) approach to investigate the electronic and magneto-optical properties of N-doped NaTaO$_3$. The mBJ results reveal a half metallic nature of NaTaO$_2$N, in contrast to results obtained by the generalized gradient approximation. We find a giant polar Kerr rotation of 2.16$^{\circ}$ at 725 nm wave length (visible region), which is high as compared to other half metallic perovskites as well as to the prototypical half metal PtMnSb.