Abstract

Calculation of electronic structures and magnetic properties of Mg (or Zn\Si\O) and Mn co-doped GaN were carried out by means of first-principle plane-wave pesudopotential (PWP) based on density functional theory. Estimation of Curie temperature was achieved by using Heisenberg model in the mean-field approximation and Zener theory,respectively. The spin polarized impurity bands of deep energy levels are found for several co-doped systems, which are half metallic and suitable for spin injectors. Compared with GaN:Mn,p-type co-doped (GaN:Mn-Mg\Zn) systems exhibit more stable ferromagnetic state and a significant increase in TC. Nevertheless,n-type co-doped (GaN:Mn-Si\O) systems fail to increase the TC and stability of ferromagnetic state.

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