Wu, H.; Kratzer, Peter; Scheffler, M.:
Density-Functional Theory Study of Half-Metallic Heterostructures: Interstitial Mn in Si
2007
In: Physical Review Letters, Band 98 (2007), 117202/1-4
Artikel/Aufsatz in Zeitschrift / Fach: Physik
Titel:
Density-Functional Theory Study of Half-Metallic Heterostructures: Interstitial Mn in Si
Autor(in):
Wu, H.; Kratzer, Peter im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen; Scheffler, M.
Erscheinungsjahr
2007
Erschienen in:
Physical Review Letters, Band 98 (2007), 117202/1-4
DOI

Abstract:

Using density-functional theory within the generalized gradient approximation, we show that Si-based heterostructures with 1/4 layer delta doping of interstitial Mn (Mn_int) are half-metallic. For Mn_int concentrations of 1/2 or 1 layer, the states induced in the band gap of delta-doped heterostructures still display high spin polarization, about 85% and 60%, respectively. The proposed heterostructures are more stable than previously assumed delta-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.