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

Mukul Kabir, D. G. Kanhere, and Abhijit Mookerjee
Phys. Rev. B 73, 075210 – Published 22 February 2006

Abstract

We report electronic and magnetic properties of pure and arsenic-doped manganese clusters from density functional theory using spin-polarized generalized gradient approximation for the exchange-correlation energy. We see for both the cases, noncollinear treatment of spins are indeed necessary. The arsenic atom stabilizes manganese clusters, which is further accompanied by the ferromagnetic MnMn coupling for Mn2As and Mn4As clusters, resulting in large cluster magnetic moments, 9 and 17μB, respectively. We show in doped clusters, exchange coupling are anomalous and behave quite differently from the Ruderman-Kittel-Kasuya-Yosida-type predictions. Finally, it is suggested that, if grown in the low temperature MBE, the giant magnetic moments due to ferromagnetic Mn ordering and their large enough exchange coupling parameter in Mn2As and Mn4As could play an important role on the ferromagnetism and on the observed large variation in the Curie temperature of the Mn-doped III-V semiconductors.

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  • Received 21 February 2005

DOI:https://doi.org/10.1103/PhysRevB.73.075210

©2006 American Physical Society

Authors & Affiliations

Mukul Kabir1, D. G. Kanhere2, 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

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Issue

Vol. 73, Iss. 7 — 15 February 2006

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