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

Cherian, R. (author)
Mahadevan, P. (author)
Persson, Clas (author)
KTH,Materialvetenskap
 (creator_code:org_t)
2009
2009
English.
In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 79:19
  • Journal article (peer-reviewed)
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  • 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.

Keyword

density functional theory
doping profiles
ferromagnetic relaxation
gallium arsenide
III-V semiconductors
manganese
semiconductor
doping
semimagnetic semiconductors
valence bands
total-energy calculations
wave basis-set
temperature ferromagnetism
semiconductors

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art (subject category)

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Cherian, R.
Mahadevan, P.
Persson, Clas
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Physical Review ...
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Royal Institute of Technology

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