Correlation of electronic structure and magnetic moment in Ga1−xMnxN : First-principles, mean field and high temperature series expansions calculations

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Self-consistent ab initio calculations based on density-functional theory and using both full potential linearized augmented plane wave and Korring–Kohn–Rostoker-coherent potential approximation methods, are performed to investigate both electronic and magnetic properties of the Ga1−xMnxN system. Magnetic moments considered to lie along (001) axes are computed. Obtained data from ab initio calculations are used as input for the high temperature series expansions (HTSEs) calculations to compute other magnetic parameters such as the magnetic phase diagram and the critical exponent. The increasing of the dilution x in this system has allowed to verify a series of HTSEs predictions on the possibility of ferromagnetism in dilute magnetic insulators and to demonstrate that the interaction changes from antiferromagnetic to ferromagnetic passing through the spins glace phase.