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@ARTICLE{Bouhassoune:276646,
      author       = {Bouhassoune, Mohammed and Schindlmayr, Arno},
      title        = {{A}b {I}nitio {S}tudy of {S}train {E}ffects on the
                      {Q}uasiparticle {B}ands and {E}ffective {M}asses in
                      {S}ilicon},
      journal      = {Advances in condensed matter physics},
      volume       = {2015},
      issn         = {1687-8124},
      address      = {New York, NY {[u.a.]},
      publisher    = {Hindawi Publ. Corp.},
      reportid     = {FZJ-2015-06974},
      pages        = {453125},
      year         = {2015},
      abstract     = {Using ab initio computational methods, we study the
                      structural and electronic properties of strained silicon,
                      which has emerged as a promising technology to improve the
                      performance of silicon-based metal-oxide-semiconductor
                      field-effect transistors. In particular, higher electron
                      mobilities are observed in n-doped samples with monoclinic
                      strain along the [110] direction, and experimental evidence
                      relates this to changes in the effective mass as well as the
                      scattering rates. To assess the relative importance of these
                      two factors, we combine density-functional theory in the
                      local-density approximation with the GW approximation for
                      the electronic self-energy and investigate the effect of
                      uniaxial and biaxial strains along the [110] direction on
                      the structural and electronic properties of Si. Longitudinal
                      and transverse components of the electron effective mass as
                      a function of the strain are derived from fits to the
                      quasiparticle band structure and a diagonalization of the
                      full effective-mass tensor. The changes in the effective
                      masses and the energy splitting of the conduction-band
                      valleys for uniaxial and biaxial strains as well as their
                      impact on the electron mobility are analyzed. The
                      self-energy corrections within GW lead to band gaps in
                      excellent agreement with experimental measurements and
                      slightly larger effective masses than in the local-density
                      approximation.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142)},
      pid          = {G:(DE-HGF)POF3-142},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000350656500001},
      doi          = {10.1155/2015/453125},
      url          = {https://juser.fz-juelich.de/record/276646},
}