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Ultra-thin FeAs is of interest both as the active component in the newlyidentified pnictide superconductors, and in spintronic applications at theinterface between ferromagnetic Fe and semiconducting GaAs. Here we usefirst-principles density functional theory to investigate the properties ofFeAs/GaAs heterostructures. We find that the Fermi surface is modified fromthat characteristic of the pnictide superconductors by interactions between theFeAs layer and the As atoms in the GaAs layers. Regardless of the number ofFeAs layers, the Fe to As ratio, or the strain state, the lowest energymagnetic ordering is always antiferromagnetic, suggesting that suchheterostructures are not promising spintronic systems, and offering anexplanation for the failure of spin injection across Fe/GaAs interfaces.

Ab initio investigation of FeAs/GaAs heterostructures for potential spintronic and superconducting applications