Large Magnetic Moments of Arsenic-Doped Mn Clusters and their Relevance to Mn-Doped III-V Semiconductor Ferromagnetism
Abstract
We report electronic and magnetic structure of arsenic-doped manganese clusters from density-functional theory using generalized gradient approximation for the exchange-correlation energy. We find that arsenic stabilizes manganese clusters, though the ferromagnetic coupling between Mn atoms are found only in Mn2As and Mn4As clusters with magnetic moments 9 μB and 17 μB, respectively. For all other sizes, x= 3, 5-10, MnxAs clusters show ferrimagnetic coupling. It is suggested that, if grown during the low temperature MBE, the giant magnetic moments due to ferromagnetic coupling in Mn2As and Mn4As clusters could play a role on the ferromagnetism and on the variation observed in the Curie temperature of Mn-doped III-V semiconductors.
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