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

• 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.

Nyckelord

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

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)