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  Density-functional theory study of half-metallic heterostructures: Interstitial Mn in Si

Wu, H., Kratzer, P., & Scheffler, M. (2007). Density-functional theory study of half-metallic heterostructures: Interstitial Mn in Si. Physical Review Letters, 98(11): 117202. doi:10.1103/PhysRevLett.98.117202.

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 Creators:
Wu, Hua1, Author              
Kratzer, Peter, Author
Scheffler, Matthias1, Author              
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1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              

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

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Language(s): eng - English
 Dates: 2007-03-12
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 303171
DOI: 10.1103/PhysRevLett.98.117202
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Title: Physical Review Letters
  Abbreviation : Phys. Rev. Lett.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Physical Society
Pages: - Volume / Issue: 98 (11) Sequence Number: 117202 Start / End Page: - Identifier: ISSN: 0031-9007
CoNE: https://pure.mpg.de/cone/journals/resource/954925433406_1