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cond-mat2003
First-principles investigation of the assumptions underlying Model-Hamiltonian approaches to ferromagnetism of 3d impurities in III-V semiconductors
Priya Mahadevan, Alex Zunger
We use first-principle calculations for transition metal impurities V, Cr, Mn, Fe, Co and Ni in GaAs as well as Cr and Mn in GaN, GaP and GaSb to identify the basic features of the…
cond-mat2003
Ferromagnetism in Mn doped GaAs due to substitutional-interstitial complexes
Priya Mahadevan, Alex Zunger
While most calculations on the properties of the ferromagnetic semiconductor GaAs:Mn have focussed on isolated Mn substituting the Ga site (Mn), we investigate here whether…