Abstract
Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with layer doping of interstitial Mn () are half-metallic. For concentrations of or 1 layer, the states induced in the band gap of -doped heterostructures still display high spin polarization, about 85% and 60%, respectively. The proposed heterostructures are more stable than previously assumed layers of substitutional Mn. Contrary to widespread belief, the present study demonstrates that interstitial Mn can be utilized to tune the magnetic properties of Si, and thus provides a new clue for Si-based spintronics materials.
- Received 15 November 2006
DOI:https://doi.org/10.1103/PhysRevLett.98.117202
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