A first-principles projector augmented wave method in the framework of density functional theory is performed to study electronic structures, magnetic and optical properties of Cr-doped GaAs in three different positions. The complex dielectric function, absorption coefficient and electron energy-loss are discussed for optical properties. The results predict that (Ga, Cr)As systems exhibit typical half-metallic properties and stable ferromagnetism when Cr atoms doping in the interior of the supercell, in which deep levels are formed in the forbidden band and reduces the energy gap, increases static dielectric constant greatly and red-shifts the absorption edge obviously. In addition, a smaller magnetic moments from As and Ga atoms are generated by p-d hybridization, and Cr atoms interact antiferromagnetically with As atoms and ferromagnetically with Ga atoms respectively. While the metallic character is observed that Cr atoms are doped on the surface of the supercell.
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