Trends in ferromagnetism in Mn-doped dilute III-V alloys from a density functional perspective

Roby Cherian, Priya Mahadevan, and Clas Persson
Phys. Rev. B 79, 195211 – Published 28 May 2009

Abstract

Mn doping in dilute III-V alloys has been examined as a route to enhance ferromagnetic stability. Strong valence-band bowing is expected at the dilute limit, implying a strong modification of the ferromagnetic stability upon alloying with even an increase in some cases. Using first-principles electronic structure calculations we show that while codoping with a group V anion enhances the ferromagnetic stability in some cases when the effects of relaxation of the lattice are not considered, strong impurity scattering in the relaxed structure result in a reduction in the ferromagnetic stability.

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  • Received 29 December 2008

DOI:https://doi.org/10.1103/PhysRevB.79.195211

©2009 American Physical Society

Authors & Affiliations

Roby Cherian and Priya Mahadevan

  • Department of Material Sciences and Advanced Materials Research Unit, S.N. Bose National Centre for Basic Sciences, JD-Block, Sector III, Salt Lake, Kolkata 700098, India

Clas Persson

  • Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden

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Issue

Vol. 79, Iss. 19 — 15 May 2009

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