Ferromagnetism in Mn-doped GaAs due to substitutional-interstitial complexes

  title={Ferromagnetism in Mn-doped GaAs due to substitutional-interstitial complexes},
  author={Priya Mahadevan and Alex Zunger},
  journal={Physical Review B},
While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focused on isolated Mn substituting the Ga site $({\mathrm{Mn}}_{\mathrm{Ga}}),$ we investigate here whether alternate lattice sites are favored and what the magnetic consequences of this might be. Under As-rich (Ga-poor) conditions prevalent at growth, we find that the formation energies are lower for ${\mathrm{Mn}}_{\mathrm{Ga}}$ over interstitial Mn $({\mathrm{Mn}}_{i}).$ As the Fermi energy is shifted… Expand

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