Tuning the magnetic property of vacancy-defected graphyne by transition metal absorption

Abstract

In this work, we demonstrate a novel and simple approach to tune the electronic properties as well as magnetic properties of transition metal absorbed in vacancy-defected graphyne (VGY). A double vacancy has been introduced in the graphyne unit and TM atoms (V-Cu) are systematically doped in the vacant site. We find that combination of these two give rise to some interesting spintronics properties such as half-metalicity, and spin-select half-semiconductivity. Furthermore, the magnetic moments of TM absorbed vacancy-defected graphyne are found to be higher compare to TM absorbed graphyne. Although Ni absorbed graphyne is nonmagnetic in nature, we find that the Ni absorbed VGY behaves as half metal with a net magnetic moment of 2 μ B and can be used as spin filter. Thus, the TM absorbed vacancy-defected graphyne are more suitable candidate for magneto-optics and spintronics.