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Structures, electronic and magnetic properties of Mn and Mn2 doped stoichiometric (GaO)n clusters with n = 1−7 are studied in the framework of density functional theory. Doping of a Mn atom is found to be energetically favorable in (GaO)n clusters and the equilibrium configurations are found to be determined by the metal–oxygen interactions. Mn prefers to maximize the number of Mn–O bonds by selecting...
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