Ab-initio Calculation of the Magnetic Properties of BN Nanoribbon

Recently, the search for new spintronics materials has also included graphene-based materials due to the theoretical prediction that this type of material may show the half-metallic property. Here, we present the results of a density functional theory within a generalized gradient approximation study of narrow Boron Nitride nanoribbon (BNNR). The objective of this study is to determine whether this type of material will be ferromagnetic (FM), antiferromagnetic (AFM), or ferrimagnetic. Our results show that the narrow zigzag shaped BNNR prefers antiferromagnetic state. The energy difference among the three states (FM, AFM, ferrimagnetic), however, is very small. Increasing the width of BNNR, was predicted to cause the stabilization of FM state instead of the AFM state.