Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters

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Mukul Kabir,¹ D. G. Kanhere,² and Abhijit Mookerjee¹
¹S.N. Bose National Center for Basic Sciences, JD Block, Sector III, Salt Lake City, Kolkata 700 098, India
²Department of Physics and Center for Modeling and Simulation, University of Pune, Pune - 411 007, India

Received 21 February 2005; published 22 February 2006

Wereport electronic and magnetic properties of pure and arsenic-doped manganeseclusters from density functional theory using spin-polarized generalized gradient approximationfor the exchange-correlation energy. We see for both the cases,noncollinear treatment of spins are indeed necessary. The arsenic atomstabilizes manganese clusters, which is further accompanied by the ferromagneticMn-Mn coupling for Mn₂As and Mn₄As clusters, resulting in largecluster magnetic moments, 9 and 17 µ_B, respectively. We show indoped clusters, exchange coupling are anomalous and behave quite differentlyfrom the Ruderman-Kittel-Kasuya-Yosida-type predictions. Finally, it is suggested that, ifgrown in the low temperature MBE, the giant magnetic momentsdue to ferromagnetic Mn ordering and their large enough exchangecoupling parameter in Mn₂As and Mn₄As could play an importantrole on the ferromagnetism and on the observed large variationin the Curie temperature of the Mn-doped III-V semiconductors.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.73.075210
DOI:	10.1103/PhysRevB.73.075210
PACS:	75.50.Pp; 36.40.Cg; 61.46.-w 75.50.Pp Magnetic semiconductors 36.40.Cg Electronic and magnetic properties of atomic and molecular clusters 61.46.-w Nanoscale materials YEAR: 2006
KEYWORDS:	arsenic, manganese, metal clusters, ferromagnetic materials, density functional theory, spin polarised transport, RKKY interaction, Curie temperature, magnetic moments

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