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Presented are local structures of single-doping Cr:AlAs, (a) for , (b) for , (c) for , which has four As atoms in the nearest sites and six Al atoms in the next nearest sites, and (d) for , which has four Al atoms in the nearest sites and six As atoms in the next nearest sites.
Formation energies as a function of the distance between two Cr atoms in doping configuration of Cr:AlAs, where the hollow and solid square shows that of the AFM and FM configuration, respectively.
Spin-dependent total DOS and PDOSs of doped Cr:AlAs in its AFM phase, where (a) for 64-atom cell, (b) for 216-atom cell. From top to bottom it shows the DOS of Cr:AlAs, atom , , Al, and As, respectively, where the solid lines show the total DOSs, the dashed lines the PDOSs of , , , and states.
Formation energies in unit of eV, total magnetic moments (m) in unit of , and the ground state (GS) of various doping configurations of Cr:AlAs.
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