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The structural and electronic properties of the Ga1-xCrxAs compound were calculated by employing principles based in the Density Functional Theory-DFT. In order to solve the Kohn-Sham equations, the plane wave method and the ultrasoft atomic pseudopotential approximation were used. Moreover, for the exchange and correlation energy, the generalized gradient approximation was employed, taking into account the Perdew-Burke-Ernzerhof (PBE) parametrization, as it is implemented in the computational code quantum espresso. To dope the GaAs with impurities, the system exhibits a half-metallic behavior. This material can be used in spintronics. © 2018. Acad. Colomb. Cienc. Ex. Fis. Nat.References
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