% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Mavropoulos:531,
      author       = {Mavropoulos, Ph.},
      title        = {{S}pin injection from {F}e into {S}i(001): {A}b initio
                      calculations and role of the {S}i complex band structure},
      journal      = {Physical review / B},
      volume       = {78},
      number       = {5},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-531},
      pages        = {054446},
      year         = {2008},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We study the possibility of spin injection from Fe into
                      Si(001), using the Schottky barrier at the Fe/Si contact as
                      tunneling barrier. Our calculations are based on
                      density-functional theory for the description of the
                      electronic structure and on a Landauer-Buttiker approach for
                      the current. The current-carrying states correspond to the
                      six conduction-band minima (pockets) of Si, which, when
                      projected on the (001) surface Brillouin zone (SBZ), form
                      five conductance hot spots: one at the SBZ center and four
                      symmetric satellites. The satellites yield a current
                      polarization of about $50\%,$ while the SBZ center can,
                      under very low gate voltage, yield up to almost $100\%,$
                      showing a zero-gate anomaly. This extremely high
                      polarization is traced back to the symmetry mismatch of the
                      minority-spin Fe wave functions to the conduction-band wave
                      functions of Si at the SBZ center. The tunneling current is
                      determined by the complex band structure of Si in the [001]
                      direction, which shows qualitative differences compared to
                      that of direct-gap semiconductors. Depending on the Fermi
                      level position and Schottky barrier thickness, the complex
                      band structure can cause the contribution of the satellites
                      to be orders of magnitude higher or lower than the central
                      contribution. Thus, by appropriate tuning of the interface
                      properties, there is a possibility to cut off the satellite
                      contribution and to reach high injection efficiency. Also,
                      we find that a moderate strain of $0.5\%$ along the [001]
                      direction is sufficient to lift the degeneracy of the
                      pockets so that only states at the zone center can carry
                      current.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / IFF-1},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)VDB781},
      pnm          = {Kondensierte Materie},
      pid          = {G:(DE-Juel1)FUEK414},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000259368200102},
      doi          = {10.1103/PhysRevB.78.054446},
      url          = {https://juser.fz-juelich.de/record/531},
}