Abstract
Magnetic and electrical properties of various p-block-elements (B, Al, Ga, C, Si, Ge, N, P and As) doped ZnO system has been studied using first principle approach. The source of the induced magnetic moment has been identified by analysing the spin polarized partial-density of states in all the cases. In most of the cases, the dopant element yield a significant amount of magnetic moment in ZnO system. The p-orbital-electrons of dopant are the primary source of magnetism along with a small contribution from oxygen atoms surrounding the dopants. The density of states calculations are supported by magnetization density distribution and Bader charge analysis. Investigation on spin-spin interaction reveals that the magnetism in B, C, N, Si, P, Ge and As-doped ZnO system favours ferromagnetic spin-ordering, while Al and Ga doped system does not.
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