First principles study on the spin unrestricted electronic structure properties of transition metal doped InN nanoribbons

摘要

In the present study, first principles calculations were carried out to reveal the spin unrestricted electronic structure behavior of both pure and transition metal (TM) atom (V and Co) doped InN nanoribbons (InN-NRs). The influence of a substitutionally doped TM atom on the electronic structure nature was examined. The role of a TM dopant together with its location, governing the characteristic of spin dependent electronic property of a doped InN-NR, was addressed. The relevant properties were extracted through Hubbard correction for In-d, N-p and TM-d states. We observed that a single TM dopant diminished the spin dependent energy gap and can result in a significant induced magnetic moment in an InN-NR system. It was exposed that TM dopants can play an essential role in the spin unrestricted electronic behavior and spin polarization, which can be tuned through a V or Co atom at a certain position.