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

Cherian, Roby ; Mahadevan, Priya ; Persson, Clas (2009) Trends in ferromagnetism in Mn-doped dilute III-V alloys from a density functional perspective Physical Review B: Condensed Matter and Materials Physics, 79 (19). Article ID 195211. ISSN 2469-9950

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Official URL: http://journals.aps.org/prb/abstract/10.1103/PhysR...

Related URL: http://dx.doi.org/10.1103/PhysRevB.79.195211

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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Deposited On:02 Feb 2018 03:55
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